SCHEMBL501923

SCHEMBL501923

NC(=O)C1(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.57
HSD11B1 P28845 4/20 0.53
OPRL1 P41146 2/20 0.51
HDAC4 P56524 3/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC9 Q9UKV0 1/20 0.44
MLYCD O95822 1/20 0.44
THRB P10828 1/20 0.44
HDAC1 Q13547 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C9 P11712 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL2722547 1.00 AKR1C1 (0.57) AKR1C1HSD11B1OPRL1HDAC4MEN1
Hydrochloric Acid SCHEMBL1804765 0.98 AKR1C1 (0.55) AKR1C1HSD11B1OPRL1HDAC4MEN1
SCHEMBL42114 0.91 AKR1C1 (0.70) AKR1C1HSD11B1OPRL1HDAC4MEN1
SCHEMBL2184245 0.91 AKR1C1 (0.64) AKR1C1HSD11B1OPRL1HDAC4MEN1
SCHEMBL43810 0.90 AKR1C1 (0.68) AKR1C1HSD11B1OPRL1HDAC4MEN1
SCHEMBL30662077 0.88 AKR1C1 (0.46) AKR1C1HSD11B1OPRL1HDAC1
SCHEMBL2703559 0.86 ALDH1A1 (0.58) AKR1C1OPRL1HDAC1SMN1; SMN2CYP2C9
SCHEMBL8366154 0.86 OPRL1 (0.56) AKR1C1HSD11B1OPRL1HDAC4MEN1
SCHEMBL476403 0.86 OPRM1 (0.58) AKR1C1HSD11B1OPRL1HDAC4HDAC1
SCHEMBL7864618 0.86 AKR1C1 (0.48) AKR1C1HSD11B1OPRL1HDAC4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116375549-A Method and system for synthesizing amide compound from nitrile compound 深圳湾实验室 2023-07-04 CN claimed
CN-115584014-A Ladder-shaped polymer material with heat-resisting and fluorescent characteristics and preparation method thereof 大连理工大学 2023-01-10 CN claimed
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN claimed
EP-3490986-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-24 EP claimed
US-20210079013-A1 Heterobicyclic Carboxylic Acids and Salts Thereof SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2021-03-18 US claimed
EP-3759114-A1 HETEROBICYCLIC CARBOXYLIC ACIDS AND SALTS THEREOF Shenzhen Ionova Life Science Co., Ltd. (CN) 2021-01-06 EP claimed
EP-3749323-A1 HETEROBICYCLIC CARBOXYLIC ACIDS FOR TREATING CANCER OR INFLAMMATORY DISEASES Shenzhen Ionova Life Science Co., Ltd. (CN) 2020-12-16 EP claimed
CN-111954664-A Cystic fibrosis transmembrane conductance regulator and methods of use 艾伯维海外有限公司 2020-11-17 CN claimed
CN-111936502-A Heterobicyclic carboxylic acids and salts thereof 深圳市原力生命科学有限公司 2020-11-13 CN claimed
US-20200352906-A1 Heterobicyclic Carboxylic Acids for Treating Cancer or Inflammatory Diseases SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2020-11-12 US claimed
US-20060148789-A1 Novel diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2006-07-06 US claimed
EP-1599476-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-11-30 EP claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-08-25 US claimed
WO-2005074922-A1 1H-THIENO[2,3-c]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2005-08-18 WO claimed
WO-2004076453-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2004-09-10 WO claimed
WO-2003070244-A1 ANTAGONIST OF MELANIN CONCENTRATING HORMONE AND THEIR USES ABBOTT LABORATORIES (US) 2003-08-28 WO claimed
JP-2002541138-A 2002-12-03 JP claimed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP claimed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO 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 (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-20210079013-A1 Heterobicyclic Carboxylic Acids and Salts Thereof PTGER4, PTGER1, GPR4 AKR1C1 1101/4885HSD11B1 770/4885OPRL1 67/4885
US-20060148789-A1 Novel diazabicyclic aryl derivatives CHRNA6, CHRNA10, CHRNA2 AKR1C1 1515/4885HSD11B1 1556/4885OPRL1 20/4885
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors MAP3K19, MAP3K1, MAP3K3 AKR1C1 1337/4885HSD11B1 1924/4885OPRL1 4481/4885
US-20200352906-A1 Heterobicyclic Carboxylic Acids for Treating Cancer or Inflammatory Diseases PTGER4, PTGER1, PTGER2 AKR1C1 1014/4885HSD11B1 609/4885OPRL1 90/4885

“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.