SCHEMBL13853646

SCHEMBL13853646

CCN1CCC2(CCN(C(=O)NC)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
VNN1 O95497 1/20 0.42
TSHR P16473 3/20 0.41
CYP2D6 P10635 8/20 0.40
CYP2C9 P11712 3/20 0.40
CYP1A2 P05177 3/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 2/20 0.39
MGLL Q99685 1/20 0.38
CYP3A4 P08684 3/20 0.37
ERN1 O75460 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SYK P43405 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
SCHEMBL25668252 0.83 CYP1A2 (0.43) POLBTSHRCYP2D6CYP2C9CYP1A2
SCHEMBL10101641 0.81 POLB (0.45) POLBVNN1
SCHEMBL17035437 0.81 POLB (0.54) POLBTSHRCYP2D6CYP2C9CYP1A2
SCHEMBL22028181 0.77 POLB (0.42) POLBTSHRCYP2D6CYP2C9CYP1A2
SCHEMBL15221484 0.76 TSHR (0.61) VNN1TSHRCYP2D6CYP3A4
SCHEMBL26885369 0.76 CYP2D6 (0.47) VNN1TSHRCYP2D6CYP2C9CYP1A2
SCHEMBL22359044 0.76 CYP2D6 (0.51) TSHRCYP2D6CYP2C9CYP1A2ALDH1A1
SCHEMBL22358967 0.75 TSHR (0.45) VNN1TSHRCYP2D6CYP2C9CYP1A2
SCHEMBL26868402 0.75 ALDH1A1 (0.47) VNN1TSHRCYP2D6ALDH1A1CYP3A4
SCHEMBL22028187 0.74 POLB (0.47) POLBTSHRCYP2D6CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 (4 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-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE ROR1, RORB, RORA POLB 3740/4885VNN1 4874/4885TSHR 249/4885
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 POLB 3678/4885VNN1 4814/4885TSHR 210/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 POLB 3678/4885VNN1 4814/4885TSHR 210/4885
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB POLB 3665/4885VNN1 4874/4885TSHR 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.