SCHEMBL17449705

SCHEMBL17449705

Cc1ccc(Cl)cc1CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
MEN1 O00255 1/20 0.38
SLC22A1 O15245 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
HSPD1 P10809 1/20 0.38
HSPA5 P11021 1/20 0.38
IDO1 P14902 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38

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
SCHEMBL28026750 0.84 HTR2A (0.53) CYP3A4HTR2APNMTSLC6A2SLC6A3
SCHEMBL13692272 0.84 CYP3A4 (0.41) CYP3A4HTTSMN1; SMN2MEN1SLC22A1
SCHEMBL13692534 0.84 HTR2A (0.53) CYP3A4HTR2APNMTSLC6A2SLC6A3
SCHEMBL3459259 0.84 CYP3A4 (0.41) CYP3A4HTTSMN1; SMN2MEN1SLC22A1
SCHEMBL9967758 0.83 MC4R (0.39) CYP3A4HTTSMN1; SMN2GABRA1GABRB2
SCHEMBL3407759 0.81 CYP3A4 (0.38) CYP3A4HTTSMN1; SMN2MEN1SLC22A1
SCHEMBL5018843 0.81 SLC6A2 (0.45) CYP3A4HTTSMN1; SMN2GABRA1GABRB2
SCHEMBL8252341 0.79 GABRA1 (0.42) CYP3A4HTTSMN1; SMN2GABRA1GABRB2
SCHEMBL21369159 0.79 CYP3A4 (0.39) CYP3A4HTTSMN1; SMN2MEN1SLC22A1
SCHEMBL11568813 0.79 CYP3A4 (0.39) CYP3A4HTTSMN1; SMN2MEN1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2021-06-03 US disclosed
US-9518000-B2 Bicyclo [2.2.1] acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 US 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 CYP3A4 22/4885HTT 4591/4885SMN1; SMN2 4769/4885
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE CCR8, RPS8, HDHD5 CYP3A4 3777/4885HTT 3394/4885SMN1; SMN2 4371/4885
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS GPR180, GPR88, GPBAR1 CYP3A4 1997/4885HTT 4551/4885SMN1; SMN2 4668/4885

“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.