SCHEMBL2422221

SCHEMBL2422221

CC(C)(C)N1CCC(NC2CCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIGMAR1 Q99720 1/20 0.35
OPRK1 P41145 7/20 0.34
EPHX1 P07099 2/20 0.34
EPHX2 P34913 3/20 0.32
ADH1B P00325 2/20 0.31
ADH1C P00326 2/20 0.31
ADH1A P07327 2/20 0.31
ADH7 P40394 1/20 0.31
CXCR3 P49682 1/20 0.30
GLA P06280 1/20 0.30
ADH4 P08319 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
SCHEMBL2421484 0.95 ALDH1A1 (0.42) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL20235023 0.93 ALDH1A1 (0.35) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL25069386 0.91 ALDH1A1 (0.33) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL8260651 0.90 ALDH1A1 (0.42) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL21004277 0.84 KDM1A (0.39)
SCHEMBL21899154 0.83
SCHEMBL21004582 0.81 OPRK1 (0.35) OPRK1
SCHEMBL21004528 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL20325665 0.79 KDM1A (0.43) ALDH1A1
SCHEMBL13548389 0.79 THRB (0.35) THRBATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases GENOSCIENCE PHARMA (FR) 2020-03-03 US disclosed
US-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2019-05-16 US disclosed
WO-2011115813-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-09-22 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 (2 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-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES NQO2, RECQL, CCNO ALDH1A1 334/4885HSD17B10 3747/4885THRB 4176/4885
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases NQO2, RECQL, CCNO ALDH1A1 334/4885HSD17B10 3747/4885THRB 4176/4885

“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.