SCHEMBL2492741

SCHEMBL2492741

CCCC(CCC)c1cc(C)nc2c(-c3cncs3)c(C)nn12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.38
HPGD P15428 3/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL2498858 0.91 HPGD (0.38) CRHR1HPGDPOLBKDM4EMAPT
SCHEMBL2496473 0.76 TSHR (0.36) CRHR1HPGDPOLBKDM4EMAPT
SCHEMBL15103992 0.76 CRHR1 (0.40) CRHR1HPGDPOLBKDM4EMAPT
SCHEMBL2495097 0.75 CRHR1 (0.35) CRHR1HPGDPOLBKDM4EMAPT
SCHEMBL27051779 0.75 HTT (0.41) CRHR1HPGDPOLBKDM4EMAPT
SCHEMBL2497127 0.75 CRHR1 (0.38) CRHR1HPGDPOLBKDM4EMAPT
SCHEMBL2495319 0.74 CRHR1 (0.39) CRHR1HPGDPOLBKDM4EMAPT
SCHEMBL15103887 0.73 CRHR1 (0.39) CRHR1HPGDPOLBKDM4EMAPT
SCHEMBL2497003 0.72 CRHR1 (0.39) CRHR1HPGDKDM4EALDH1A1
SCHEMBL2502636 0.71 CRHR1 (0.39) CRHR1HPGDPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116322544-A Methods and compositions for treating polycystic ovary syndrome 云杉生物科学公司 2023-06-23 CN claimed
CN-116322544-A Methods and compositions for treating polycystic ovary syndrome 云杉生物科学公司 2023-06-23 CN disclosed
US-8030304-B2 Thiazole pyrazolopyrimidines CRF1 receptor antagonists ELI LILLY AND COMPANY (US) 2011-10-04 US disclosed
EP-2094709-B1 THIAZOLE PYRAZOLOPYRIMIDINES AS CRF1 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2010-09-15 EP disclosed
US-20100222339-A1 Thiazole pyrazolopyrimidines CRF1 receptor antagonists ELI LILLY AND COMPANY 2010-09-02 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 (1 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-20100222339-A1 Thiazole pyrazolopyrimidines CRF1 receptor antagonists CRHR1, CRH, CRHR2 CRHR1 1/4885HPGD 1864/4885POLB 4776/4885

“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.