SCHEMBL789554

SCHEMBL789554

O=C(O)N1CCc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
HPGD P15428 1/20 0.71
NOTUM Q6P988 2/20 0.70
TSHR P16473 4/20 0.68
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
TP53 P04637 1/20 0.65
PKM P14618 1/20 0.65
NFKB1 P19838 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
LMNA P02545 2/20 0.64
MAPT P10636 3/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
SIGMAR1 Q99720 1/20 0.63
GAA P10253 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL29449730 1.00 ALDH1A1 (0.71) ALDH1A1HPGDNOTUMTSHRNPC1
Hydrochloric Acid SCHEMBL10741975 0.98 ALDH1A1 (0.69) ALDH1A1HPGDNOTUMTSHRNPC1
SCHEMBL28092234 0.90 ALDH1A1 (0.59) ALDH1A1HPGDNOTUMTSHRNPC1
SCHEMBL29353444 0.89 SMN1; SMN2 (0.77) ALDH1A1HPGDNOTUMTSHRSMN1; SMN2
SCHEMBL2829456 0.89 SMN1; SMN2 (0.77) ALDH1A1HPGDNOTUMTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL11845665 0.87 SMN1; SMN2 (0.74) ALDH1A1HPGDNOTUMTSHRSMN1; SMN2
SCHEMBL30456228 0.87 SMN1; SMN2 (0.69) ALDH1A1HPGDNOTUMTSHRSMN1; SMN2
SCHEMBL29804966 0.86 NOTUM (0.72) ALDH1A1HPGDNOTUMTSHRNPC1
SCHEMBL5492978 0.86 SMN1; SMN2 (0.79) ALDH1A1HPGDNOTUMTSHRNPC1
SCHEMBL17117378 0.86 NOTUM (0.72) ALDH1A1HPGDNOTUMTSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894327-A Process for preparing indoline carboxylic ester 阿拉善盟锦源科技发展有限公司 2023-04-04 CN claimed
CN-110256326-B Indoline carboxylic acid alkaloid in purslane and extraction and separation method and application thereof 辽宁中医药大学 2022-05-13 CN claimed
CN-112375028-A Method for synthesizing (2S) -indoline-formic acid 安徽美诺华药物化学有限公司 2021-02-19 CN claimed
CN-111646999-A Indoline carboxylic acid compound and preparation method thereof 内江师范学院 2020-09-11 CN claimed
CN-110256326-A Indoline carboxylic acid alkaloid in purslane and extraction and separation method and application thereof 辽宁中医药大学 2019-09-20 CN claimed
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-103402511-B New benzodioxole piperidine compounds HOFFMAN-LA ROCHE LTD. (CH) 2015-11-25 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-6274594-B1 ANTICONVULSANTS, ANALGESICS; NERUOPATHIC, CANCER AND DENTAL PAIN; SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-14 US claimed
US-6232305-B1 ANTICANCER AGENTS; BONE DISORDERS; ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM DISORDERS NAEJA PHARMACEUTICAL INC. (CA) 2001-05-15 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
EP-0180544-B1 PROCESS FOR THE PREPARATION OF A CARBOXYLIC ACID CIBA-GEIGY AG (CH) 1988-06-15 EP claimed
US-4595766-A Process for the preparation of an indoline carboxylic acid CIBA-GEIGY CORPORATION (US) 1986-06-17 US claimed
US-4479963-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1984-10-30 US claimed
US-4374847-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-02-22 US claimed
EP-0051301-A1 1-Carboxy-azaalkyl-indolin-2-carboxylic acids, process for preparing them, pharmaceutical compositions containing them and their therapeutical use CIBA-GEIGY AG (CH) 1982-05-12 EP claimed
EP-0050850-A1 1-Carboxyalkanoylindolin-2-carboxylic acids and derivatives thereof, processes for their preparation, and pharmaceutical compositions containing these compounds CIBA-GEIGY AG (CH) 1982-05-05 EP 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 (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-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 ALDH1A1 953/4885HPGD 2403/4885NOTUM 2411/4885
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 ALDH1A1 953/4885HPGD 2403/4885NOTUM 2411/4885

“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.