SCHEMBL10243632

SCHEMBL10243632

Cc1cc(C(F)F)n2ncc(C(=O)N3[C@@H]4CC[C@H]3C[C@@H](c3ccc(F)cc3)C4)c2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.55
ALDH1A1 P00352 8/20 0.52
GBA1 P04062 2/20 0.48
TSHR P16473 2/20 0.48
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
HSD11B1 P28845 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RECQL P46063 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HKDC1 Q2TB90 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL17350755 1.00 HPGD (0.55) HPGDALDH1A1GBA1TSHRUSP2
SCHEMBL10244150 0.81 KMT2A (0.53) HPGDALDH1A1USP2SMN1; SMN2MAPT
SCHEMBL17350877 0.81 KMT2A (0.53) HPGDALDH1A1USP2SMN1; SMN2MAPT
SCHEMBL10281658 0.76 HKDC1 (0.54) HPGDALDH1A1GBA1TSHRUSP2
SCHEMBL17350854 0.74 SPR (0.42)
SCHEMBL10243837 0.74 SPR (0.42)
SCHEMBL18208179 0.73 HPGD (0.70) HPGDALDH1A1GBA1TSHRUSP2
SCHEMBL10243654 0.73 HCRTR2 (0.40)
SCHEMBL17350847 0.73 HCRTR2 (0.40)
SCHEMBL4200567 0.71 HPGD (1.00) HPGDALDH1A1GBA1TSHRUSP2

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
EP-2318403-B1 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INT (DE) 2015-12-23 EP disclosed
US-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 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-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD11B2, HSD17B1 HPGD 154/4885ALDH1A1 141/4885GBA1 824/4885

“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.