SCHEMBL2234486

SCHEMBL2234486

O=C1CCc2c(Cl)cccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
HTR5A P47898 2/20 0.46
HTR1A P08908 2/20 0.46
HTR1D P28221 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
HTR3A P46098 1/20 0.46
ACE P12821 1/20 0.43
MMP13 P45452 1/20 0.43
MAPT P10636 1/20 0.43
CES1 P23141 1/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL30511168 1.00 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2408663 0.89 MAPT (0.53) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL29622057 0.82 CCNB2 (0.54) HTR5AHTR1AHTR1DHTR2AHTR2C
SCHEMBL624585 0.82 CCNB2 (0.54) HTR5AHTR1AHTR1DHTR2AHTR2C
SCHEMBL3593984 0.78 NPC1 (0.52) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL10572841 0.78 NPC1 (0.39) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5741470 0.77 ADRA2A (0.51) HTR5AHTR1AHTR1DHTR2AHTR2C
SCHEMBL31170797 0.77 NOTUM (0.53) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3723532 0.77 SRD5A1 (0.57) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL837526 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561561-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR Septerna, Inc. (US) 2025-06-04 EP disclosed
WO-2024026076-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR SEPTERNA, INC. (US) 2024-02-01 WO disclosed
CN-112262145-B 2-aminopyrimidine derivative and preparation method and application thereof 上海奕拓医药科技有限责任公司 2023-08-01 CN disclosed
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD. (CN) 2022-12-06 US disclosed
EP-3212630-B1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-05-18 EP disclosed
US-20210253595-A1 2-Aminopyrimidine Derivative and Preparation Method and Use Thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2021-08-19 US disclosed
US-20210253595-A1 2-Aminopyrimidine Derivative and Preparation Method and Use Thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2021-08-19 US disclosed
EP-3786166-A1 2-AMINOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2021-03-03 EP disclosed
EP-3786166-A1 2-AMINOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2021-03-03 EP disclosed
CN-112262145-A 2-aminopyrimidine derivatives, preparation method and application thereof 上海奕拓医药科技有限责任公司 2021-01-22 CN disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 EP disclosed
WO-2010116270-A1 EP2/4 AGONISTS PFIZER INC. (US) 2010-10-14 WO disclosed
US-5656633-A Carbostyril derivatives and pharmaceutical compositions containing the same for use as a disturbance-of-consciousness improving agent, central nervous system stimulant or sigma receptor agonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
US-5556857-A SIGMA RECEPTOR AGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-17 US disclosed
EP-0512525-B1 Carbostyril derivatives and pharmaceutical compositions containing the same for use as a disturbance-of-consciousness improving agent, central nervous system stimulant or sigma receptor agonist OTSUKA PHARMA CO LTD (JP) 1994-11-30 EP disclosed
EP-0512525-A1 Carbostyril derivatives and pharmaceutical compositions containing the same for use as a disturbance-of-consciousness improving agent, central nervous system stimulant or sigma receptor agonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 EP disclosed
US-4416884-A ANTIBIOTIC, BACTERICIDE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-22 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 (4 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 NPC1 3383/4885MAPK13 997/4885MAPK12 1841/4885
US-20210253595-A1 2-Aminopyrimidine Derivative and Preparation Method and Use Thereof IDH1, IDH2, IDH3B NPC1 3970/4885MAPK13 1558/4885MAPK12 1676/4885
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof TFPI, TFPI2, F11 NPC1 2039/4885MAPK13 390/4885MAPK12 1244/4885
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP17A1, HSD11B1 NPC1 1135/4885MAPK13 1262/4885MAPK12 2104/4885

“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.