SCHEMBL636076

SCHEMBL636076

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TAAR1 Q96RJ0 3/20 0.37
SLC6A2 P23975 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP2A6 P11509 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL13851926 1.00 KCNN4 (0.44) KCNN4CYP1A2CYP2D6CRHBPCRHR2
SCHEMBL15393649 0.82 TSHR (0.42) MAOAKIF11
SCHEMBL16363073 0.82 TSHR (0.42) MAOAKIF11
SCHEMBL28351446 0.81 CYP1A2 (0.42) KCNN4CYP1A2CYP2D6TAAR1SLC6A2
SCHEMBL28351447 0.81 CYP1A2 (0.42) KCNN4CYP1A2CYP2D6TAAR1SLC6A2
SCHEMBL114847 0.81 KCNN4 (0.48) KCNN4CYP1A2CYP2D6TAAR1SLC6A2
SCHEMBL16928433 0.80 MAOA (0.38) KCNN4MAOACYP3A4KIF11
Ammonia Solution, Strong SCHEMBL1484878 0.79 CYP1A2 (0.41) KCNN4CYP1A2CYP2D6TAAR1SLC6A2
SCHEMBL2837925 0.77 SLC6A4 (0.46) CYP1A2CYP2D6MAOASLC6A4SLC6A3
SCHEMBL636461 0.77 SLC6A4 (0.46) CYP1A2CYP2D6MAOASLC6A4SLC6A3

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 129 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 KCNN4 495/4885CYP1A2 472/4885CYP2D6 1210/4885
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS AP2M1, OPRM1, CD81 KCNN4 152/4885CYP1A2 4560/4885CYP2D6 3821/4885
US-12129249-B2 Method for producing optically active compound DHPS, QDPR, SPR KCNN4 1335/4885CYP1A2 1113/4885CYP2D6 484/4885
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR KCNN4 1335/4885CYP1A2 1113/4885CYP2D6 484/4885

“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.