SCHEMBL2998694

SCHEMBL2998694

O=C1N[C@@H](c2ccccc2)CN1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FPR1 P21462 1/20 0.38
▸ CASR P41180 6/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ HCAR1 Q9BXC0 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33

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
SCHEMBL2998699 1.00 FPR1 (0.38) FPR1CASRSMN1; SMN2ALDH1A1GLA
SCHEMBL22440137 0.72 CA2 (0.33) ALDH1A1TSHRBRD4LMNA
SCHEMBL26744832 0.71 BRD4 (0.32) TSHRBRD4
SCHEMBL13413551 0.68 BRD4 (0.49) SMN1; SMN2TSHRBRD4LMNA
SCHEMBL20794403 0.68 BRD4 (0.49) SMN1; SMN2TSHRBRD4LMNA
SCHEMBL28843263 0.68 MEN1 (0.45) SMN1; SMN2ALDH1A1BRD4
SCHEMBL28843260 0.68 MEN1 (0.45) SMN1; SMN2ALDH1A1BRD4
SCHEMBL20780438 0.68 KMT2A (0.42) SMN1; SMN2BRD4LMNA
SCHEMBL13428545 0.67 MAPK1 (0.41) FPR1CASRSMN1; SMN2ALDH1A1TSHR
SCHEMBL11666708 0.67 KMT2A (0.41) SMN1; SMN2TSHRBRD4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835426-B2 Cyclic urea and carbamate inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-16 — — US claimed
US-20100197675-A1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-08-05 — — US claimed
EP-2125750-A2 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2009-12-02 — — EP claimed
WO-2008106128-A2 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-09-04 — — WO claimed
US-8835426-B2 Cyclic urea and carbamate inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-16 — — US disclosed
US-8835426-B2 Cyclic urea and carbamate inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-16 — — US disclosed
US-8835426-B2 Cyclic urea and carbamate inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-16 — — US disclosed
EP-2125750-B1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-05-21 — — EP disclosed
US-20100197675-A1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-08-05 — — US disclosed
US-20100197675-A1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-08-05 — — US disclosed
US-20100197675-A1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-08-05 — — US disclosed
EP-2125750-A2 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2009-12-02 — — EP disclosed
WO-2008106128-A2 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-09-04 — — 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 (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-20100197675-A1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 FPR1 2234/4885CASR 3085/4885SMN1; SMN2 4088/4885

“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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