SCHEMBL635649

SCHEMBL635649

CC(C)CC(N)C(N)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
KCNN4 O15554 1/20 0.39
LARS1 Q9P2J5 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
TAAR1 Q96RJ0 3/20 0.38
MAOA P21397 3/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ANPEP P15144 1/20 0.37
LAP3 P28838 1/20 0.37
KIF11 P52732 1/20 0.36

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
SCHEMBL7158095 0.94 CYP2D6 (0.37) CYP2D6CYP1A2KCNN4LARS1KDM4E
SCHEMBL4592903 0.79 KIF11 (0.42) CYP2D6CYP1A2KCNN4KDM4ELMNA
SCHEMBL1131722 0.78 KDM4E (0.58) CYP2D6CYP1A2KCNN4LARS1KDM4E
SCHEMBL1131718 0.78 KDM4E (0.58) CYP2D6CYP1A2KCNN4LARS1KDM4E
SCHEMBL4918492 0.78 KDM4E (0.58) CYP2D6CYP1A2KCNN4LARS1KDM4E
SCHEMBL5872364 0.78 HTR2A (0.40) CYP2D6CYP1A2KDM4ELMNAMAPK1
SCHEMBL16635566 0.78 HTR2A (0.40) CYP2D6CYP1A2KDM4ELMNAMAPK1
SCHEMBL637387 0.78 SLC6A4 (0.44) CYP2D6CYP1A2MAPK1MAOASLC6A4
Hydrochloric Acid SCHEMBL8841083 0.77 KDM4E (0.56) CYP2D6CYP1A2KCNN4LARS1KDM4E
Hydrochloric Acid SCHEMBL8841082 0.77 KDM4E (0.56) CYP2D6CYP1A2KCNN4LARS1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-12-09 US claimed
EP-2215101-A1 CATIONIC TRANSITION METAL CATALYSTS Kanata Chemical Technologies Inc. (CA) 2010-08-11 EP claimed
WO-2009055912-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2009-05-07 WO claimed
US-5763688-A HYDROGENATING A CARBONYL COMPOUND, RUTHENIUM-PHOSPHINE COMPLEX CATALYST, BASE, DIAMINE RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) 1998-06-09 US claimed
US-12129249-B2 Method for producing optically active compound DAY ONE BIOPHARMACEUTICALS, INC. (US) 2024-10-29 US disclosed
EP-4406609-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Day One Biopharmaceuticals, Inc. (US) 2024-07-31 EP disclosed
CN-117447464-A Method for producing optically active compound 首日生物制药公司 2024-01-26 CN disclosed
CN-111032047-B Method for producing optically active compound 多特疗法-1公司 2023-10-27 CN disclosed
US-20220169600-A1 METHOD FOR PRODUCING PKROSTAGLANDIN KYOWA PHARMA CHEMICAL CO., LTD. (JP) 2022-06-02 US disclosed
EP-3950672-A1 METHOD FOR PRODUCING PKROSTAGLANDIN Kyowa Pharma Chemical Co., Ltd. (JP) 2022-02-09 EP disclosed
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2021-11-11 US disclosed
CN-113557227-A Method for producing prostaglandin 协和医药化工股份有限公司 2021-10-26 CN disclosed
EP-0916637-A1 PROCESS FOR PREPARATING OPTICALLY ACTIVE COMPOUNDS Japan Science and Technology Corporation (JP) 1999-05-19 EP disclosed
EP-0901997-A1 Process for producing optically active alcohol compound Takasago International Corporation (JP) 1999-03-17 EP disclosed
US-5780692-A CATALYTIC ASYMMETRIC HYDROGENATION OF A BENZOPHENONE; SIMPLIFICATION TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-07-14 US disclosed
US-5763688-A HYDROGENATING A CARBONYL COMPOUND, RUTHENIUM-PHOSPHINE COMPLEX CATALYST, BASE, DIAMINE RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) 1998-06-09 US disclosed
US-5756863-A Process for preparing optically active cyclohexanol derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-05-26 US disclosed
EP-0781749-A2 Process for producing optically active benzhydrol compounds Takasago International Corporation (JP) 1997-07-02 EP disclosed
EP-0768288-A2 Process for preparing optically active cyclohexanol derivatives Takasago International Corporation (JP) 1997-04-16 EP disclosed
EP-0718265-A2 Method for producing an alcohol RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) 1996-06-26 EP 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-20220169600-A1 METHOD FOR PRODUCING PKROSTAGLANDIN PTGS1, PTGER1, RACK1 CYP2D6 1210/4885CYP1A2 472/4885KCNN4 495/4885
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS AP2M1, OPRM1, CD81 CYP2D6 3821/4885CYP1A2 4560/4885KCNN4 152/4885
US-12129249-B2 Method for producing optically active compound DHPS, QDPR, SPR CYP2D6 484/4885CYP1A2 1113/4885KCNN4 1335/4885
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR CYP2D6 484/4885CYP1A2 1113/4885KCNN4 1335/4885

“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.