SCHEMBL19255424

SCHEMBL19255424

CCC(C)(C)N1CCCC2(CCN(C)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.43
TSHR P16473 6/20 0.38
CYP2D6 P10635 4/20 0.38
USP2 O75604 4/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 3/20 0.38
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL21214518 0.87 CYP3A4 (0.37) CYP3A4TSHRCYP2D6USP2HSD17B10
SCHEMBL19226671 0.85 CYP3A4 (0.35) CYP3A4CYP2C19HIF1A
SCHEMBL15112835 0.84 CYP3A4 (0.41) CYP3A4TSHRCYP2D6USP2HSD17B10
SCHEMBL19978300 0.83 HSD11B1 (0.33) TSHRCYP2D6USP2HSD17B10CYP2C9
SCHEMBL24276408 0.82 CYP2D6 (0.33) CYP3A4TSHRCYP2D6USP2HSD17B10
SCHEMBL17886517 0.78 USP2 (0.41) CYP3A4TSHRCYP2D6USP2HSD17B10
SCHEMBL22016879 0.77
SCHEMBL1753469 0.77 USP2 (0.53) CYP3A4TSHRCYP2D6USP2HSD17B10
SCHEMBL13050810 0.77 USP2 (0.44) CYP3A4TSHRCYP2D6USP2HSD17B10
SCHEMBL21100795 0.76 HIF1A (0.34) TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170304305-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2017-10-26 US disclosed
US-9730934-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-08-15 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-20170304305-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF NQO2, CHRM1, CHRM2 CYP3A4 57/4885TSHR 1092/4885CYP2D6 190/4885

“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.