SCHEMBL4754004

SCHEMBL4754004

COc1ccc(C(F)(F)F)cc1N1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.66
HTR3E A5X5Y0 3/20 0.62
HTR3B O95264 3/20 0.62
HTR3A P46098 3/20 0.62
HTR3D Q70Z44 3/20 0.62
HTR3C Q8WXA8 3/20 0.62
ADRB1 P08588 3/20 0.56
SIGMAR1 Q99720 2/20 0.56
DRD2 P14416 1/20 0.56
CYP2C19 P33261 1/20 0.56
DRD3 P35462 1/20 0.56
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
ADRB2 P07550 1/20 0.51
NCF1 P14598 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HTR1D P28221 1/20 0.50
HTR2C P28335 1/20 0.50
HIF1A Q16665 1/20 0.50

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
Hydrochloric Acid SCHEMBL966017 0.99 HTR6 (0.65) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL31652205 0.88 HTR6 (0.57) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL14015442 0.88 HTR6 (0.57) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL12969072 0.84 HTR6 (0.58) HTR6DRD2CYP2C19DRD3MAPT
SCHEMBL4752820 0.82 FFAR4 (0.51) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL19385666 0.80 ADRB2 (0.55) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL2873088 0.80 HTR3E (0.68) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL6935347 0.80 HTR3A (0.56) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL8103353 0.79 HTR3E (0.69) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL6186114 0.79 HTR6 (0.75) HTR6DRD2DRD3HTR1DHTR2C

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed
WO-2008146063-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT6 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársagág (HU) 2008-12-04 WO disclosed
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 EP disclosed
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 EP disclosed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 US disclosed
EP-1222183-B1 BENZOPYRAN DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-04-23 EP disclosed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 WO disclosed
EP-1222183-A1 BENZOPYRAN DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-07-17 EP disclosed
EP-0931067-B1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2002-06-26 EP disclosed
US-6403594-B1 UROGENTIAL INFECTIONS, ETC RECORDATI, S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-11 US disclosed
EP-0782574-B1 BICYCLIC CARBOXAMIDES AS 5-HT1A RECEPTORS LIGANDS WYETH JOHN & BROTHER LTD (GB) 2002-03-27 EP disclosed
US-6258813-B1 BIOLOGICAL RECEPTORS WITH TETRAHYDROPIPERIZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT (DE) 2001-07-10 US disclosed
WO-2001029022-A1 BENZOPYRAN DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2001-04-26 WO disclosed
EP-0931067-A1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GmbH (DE) 1999-07-28 EP disclosed
WO-1998011068-A1 D4 RECEPTOR SELECTIVITY PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 1998-03-19 WO disclosed
US-5610154-A ANXIOLYTIC AGENTS JOHN WYETH & BROTHER, LTD. (GB) 1997-03-11 US disclosed

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

For each of this compound's patents that has machine-readable text (2 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E HTR6 38/4885HTR3E 29/4885HTR3B 10/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C HTR6 20/4885HTR3E 21/4885HTR3B 11/4885

“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.