SCHEMBL2829456

SCHEMBL2829456

O=C(O)N1CCCc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.77
NOTUM Q6P988 1/20 0.72
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
HTT P42858 2/20 0.67
NPSR1 Q6W5P4 1/20 0.67
TSHR P16473 1/20 0.67
SIGMAR1 Q99720 1/20 0.66
MAPT P10636 3/20 0.64
ALDH1A1 P00352 3/20 0.64
HPGD P15428 1/20 0.64
POLB P06746 3/20 0.63
RECQL P46063 1/20 0.63
MAPK1 P28482 1/20 0.63
KDM4E B2RXH2 1/20 0.61
PKM P14618 1/20 0.61
MGLL Q99685 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29353444 1.00 SMN1; SMN2 (0.77) SMN1; SMN2NOTUMMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL11845665 0.98 SMN1; SMN2 (0.74) SMN1; SMN2NOTUMMEN1KMT2AHTT
SCHEMBL30456228 0.95 SMN1; SMN2 (0.69) SMN1; SMN2NOTUMMEN1KMT2AHTT
SCHEMBL789554 0.89 ALDH1A1 (0.71) SMN1; SMN2NOTUMMEN1KMT2ANPSR1
SCHEMBL29449730 0.89 ALDH1A1 (0.71) SMN1; SMN2NOTUMMEN1KMT2ANPSR1
SCHEMBL4019697 0.87 SMN1; SMN2 (0.79) SMN1; SMN2NOTUMMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL10741975 0.87 ALDH1A1 (0.69) SMN1; SMN2NOTUMMEN1KMT2ANPSR1
SCHEMBL11326409 0.86 SMN1; SMN2 (0.83) SMN1; SMN2NOTUMMEN1KMT2AHTT
SCHEMBL4291340 0.85 SMN1; SMN2 (0.77) SMN1; SMN2NOTUMMEN1KMT2AHTT
SCHEMBL6198498 0.84 ALDH1A1 (0.81) SMN1; SMN2MEN1KMT2ATSHRALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 181 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
US-9328107-B2 Primary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2016-05-03 US claimed
CN-104903290-A Novel compound having ability to inhibit 11beta-HSD1 enzyme or pharmaceutically acceptable salt thereof, method for producing same, and pharmaceutical composition containing same as active ingredient AHN GOOK PHARMACEUTICAL CO LTD 2015-09-09 CN claimed
EP-2018371-B1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2015-03-04 EP claimed
US-20140235622-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2014-08-21 US claimed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 US claimed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US claimed
US-20120270861-A1 Primary Amines And Derivatives Thereof As Modulators Of The 5-HT2A Serotonin Receptor Useful For The Treatment Of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. 2012-10-25 US claimed
US-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES NETTEKOVEN MATTHIAS 2010-05-13 US claimed
CN-101080392-B Piperazinyl pyridine derivatives as anti-obesity agents HOFFMANN LA ROCHE 2010-05-05 CN claimed
EP-1174151-B1 THERAPEUTIC TREATMENT OF EOSINOPHILIA USING CHYMASE INHIBITORS AS THE ACTIVE INGREDIENT DAIICHI ASUBIO PHARMA CO LTD (JP) 2007-01-24 EP claimed
US-20060135528-A1 Piperazinyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2006-06-22 US claimed
WO-2006063718-A1 PIPERAZINYL PYRIDINE DERIVATIVES AS ANTI-OBESITY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO claimed
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 CN claimed
US-6677344-B2 Chymase inhibitor for the treatment of eosinophilia DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-01-13 US claimed
US-6500835-B2 FOR PROPHYLAXIS AND THERAPY OF FIBROSIS INVOLVING EXTRACELLULAR MATRIX DYSBOLISM HAVING A CHYMASE INHIBITOR AS AN EFFECTIVE INGREDIENT; SIDE EFFECT REDUCTION SUNTORY LIMITED (JP) 2002-12-31 US claimed
US-6274594-B1 ANTICONVULSANTS, ANALGESICS; NERUOPATHIC, CANCER AND DENTAL PAIN; SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-14 US claimed
EP-1032570-A1 ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2000-09-06 EP claimed
WO-1999025709-A1 ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 1999-05-27 WO claimed
CN-1072601-A Angiotensin-convertion enzyme inhibitor and calcium antagonist are united and are used for the treatment of albuminuria HOECHST AG (DE) 1993-06-02 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060135528-A1 Piperazinyl-pyridine derivatives HRH4, HRH3, H1-3 SMN1; SMN2 3649/4885NOTUM 4211/4885MEN1 3510/4885
US-20140235622-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A SMN1; SMN2 1670/4885NOTUM 2411/4885MEN1 3346/4885
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A SMN1; SMN2 1670/4885NOTUM 2411/4885MEN1 3346/4885
US-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES HRH3, HRH4, HRH1 SMN1; SMN2 2460/4885NOTUM 3282/4885MEN1 1237/4885
US-20120270861-A1 Primary Amines And Derivatives Thereof As Modulators Of The 5-HT2A Serotonin Receptor Useful For The Treatment Of Disorders Related Thereto HTR5A, HTR2A, HTR1A SMN1; SMN2 1670/4885NOTUM 2411/4885MEN1 3346/4885
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 SMN1; SMN2 3874/4885NOTUM 1860/4885MEN1 3428/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.