SCHEMBL6410635

SCHEMBL6410635

CN(C)Cc1ccc([C]=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.56
▸ ALDH1A1 P00352 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ TAAR1 Q96RJ0 2/20 0.48
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ LSS P48449 3/20 0.40
▸ BRD4 O60885 1/20 0.38
▸ BRD9 Q9H8M2 1/20 0.38
▸ TTK P33981 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38
▸ AOC3 Q16853 1/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ NSD2 O96028 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
SCHEMBL659509 0.80 HRH3 (0.82) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL6412394 0.78 HRH3 (0.59) HRH3HDAC6
SCHEMBL156261 0.77 CYP2A6 (0.58) HRH3ALDH1A1TSHRTAAR1LSS
SCHEMBL578205 0.77 HRH3 (0.56) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL6409478 0.77 HRH3 (0.64) HRH3
Hydrochloric Acid SCHEMBL28582005 0.76 CYP2A6 (0.56) HRH3ALDH1A1TSHRTAAR1LSS
SCHEMBL6406480 0.75 ALDH1A1 (0.48) HRH3ALDH1A1TSHRTAAR1NOS1
SCHEMBL28015584 0.74 TSHR (0.63) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL6135480 0.73 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL12803574 0.73 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110248939-A tyrosine amide derivatives as RHO-kinase inhibitors 奇斯药制品公司 2019-09-17 — — CN claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 — — US claimed
JP-3099094-A — — None — — JP disclosed
CN-110248939-A tyrosine amide derivatives as RHO-kinase inhibitors 奇斯药制品公司 2019-09-17 — — CN disclosed
US-20050222098-A1 Regulation of meiosis NOVO NORDISK A/S (DK) 2005-10-06 — — US disclosed
EP-0767798-B1 STEROL DERIVATIVES USED FOR REGULATION OF MEIOSIS NOVO NORDISK AS (DK) 2003-09-03 — — EP disclosed
US-20030004148-A1 Regulation of meiosis NOVO NORDISK A/S (DK) 2003-01-02 — — US disclosed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 — — US disclosed
CN-1068333-C Sterol derivatives used for regulation of meiosis NOVO NORDISK AS (DK) 2001-07-11 — — CN disclosed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 — — EP disclosed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 — — WO disclosed
CN-1151164-A Sterol derivatives used for regulation of meiosis NOVO NORDISK AS (DK) 1997-06-04 — — CN disclosed
JP-H0399094-A LIQUID CRYSTAL-NATURED ESTER FROM ORGANIC ACID AND TRITERPENE ALCOHOL SHIRATORI SEIYAKU KK 1991-04-24 — — JP 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-20050222098-A1 Regulation of meiosis ALPG, MNS1, BUB1B HRH3 3595/4885ALDH1A1 2659/4885TSHR 4376/4885
US-20030004148-A1 Regulation of meiosis ALPG, MNS1, BUB1B HRH3 3595/4885ALDH1A1 2659/4885TSHR 4376/4885

“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.

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