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

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