SCHEMBL1859520

SCHEMBL1859520

COC(=O)C(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.52
CYP1A2 P05177 1/20 0.52
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CPA3 P15088 1/20 0.47
LAP3 P28838 2/20 0.47
MEN1 O00255 1/20 0.47
ERAP2 Q6P179 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47

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
SCHEMBL5966557 0.89 FOLH1 (0.55) FOLH1CYP1A2KMT2A
SCHEMBL12493936 0.87 CYP1A2 (0.61) FOLH1CYP1A2KMT2AATMCPA3
SCHEMBL1856103 0.87 CA1 (0.51) KMT2ATSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL14294681 0.87 HDAC3 (0.55) FOLH1CYP1A2KMT2AATMALDH1A1
SCHEMBL27635862 0.85 FOLH1 (0.51) FOLH1CYP1A2KMT2AATMALDH1A1
SCHEMBL18065695 0.85 EPHX2 (0.54) CYP1A2KMT2ASMN1; SMN2CPA3LAP3
SCHEMBL1859677 0.85 SMN1; SMN2 (0.50) CYP1A2KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL4845257 0.85 KMT2A (0.49) KMT2ATSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL9555874 0.85 KMT2A (0.53) KMT2ATSHRSMN1; SMN2CPA3
SCHEMBL1859940 0.85 GRIK1 (0.51) FOLH1KMT2ATSHRSMN1; SMN2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3440051-B1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS RES TRIANGLE INST (US) 2024-03-20 EP disclosed
CN-109153635-B Neuropeptide S receptor (NPSR) agonists 研究三角协会 2022-04-08 CN disclosed
US-11142546-B2 Neuropeptide S receptor (NPSR) agonists RESEARCH TRIANGLE INSTITUTE (US) 2021-10-12 US disclosed
US-11142546-B2 Neuropeptide S receptor (NPSR) agonists RESEARCH TRIANGLE INSTITUTE (US) 2021-10-12 US disclosed
US-20190092809-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-28 US disclosed
US-20190092809-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-28 US disclosed
EP-3440051-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS Research Triangle Institute (US) 2019-02-13 EP disclosed
CN-109153635-A Neuropeptide S receptor (NPSR) agonist 研究三角协会 2019-01-04 CN disclosed
WO-2017176461-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2017-10-12 WO disclosed
WO-2017176461-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2017-10-12 WO disclosed
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 WO 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 (3 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-20190092809-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS NPSR1, GRPR, NPBWR1 FOLH1 1267/4885CYP1A2 4100/4885KMT2A 2088/4885
US-11142546-B2 Neuropeptide S receptor (NPSR) agonists NPSR1, GRPR, NPBWR1 FOLH1 1267/4885CYP1A2 4100/4885KMT2A 2088/4885
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS FOLH1 1635/4885CYP1A2 158/4885KMT2A 2127/4885

“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.