SCHEMBL2636939

SCHEMBL2636939

Cc1nc2cccc(Cl)c2n1[C@@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.60
▸ STS P08842 2/20 0.47
▸ CCR5 P51681 5/20 0.45
▸ TNF P01375 2/20 0.45
▸ LITAF Q99732 2/20 0.45
▸ USP30 Q70CQ3 2/20 0.43
▸ IL1B P01584 1/20 0.43
▸ P2RX7 Q99572 1/20 0.43
▸ PIK3CA P42336 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ OGFRL1 Q5TC84 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL2636937 1.00 HSD11B1 (0.60) HSD11B1STSCCR5TNFLITAF
SCHEMBL29531255 0.83 HSD11B1 (0.46) HSD11B1STSTNFLITAFUSP30
SCHEMBL16767773 0.83 HSD11B1 (0.46) HSD11B1STSTNFLITAFUSP30
SCHEMBL16767775 0.83 HSD11B1 (0.46) HSD11B1STSTNFLITAFUSP30
SCHEMBL27349830 0.78 STS (0.46) HSD11B1STSUSP30MEN1KMT2A
SCHEMBL16895722 0.78 EGFR (0.59) HSD11B1TNFLITAFUSP30LMNA
SCHEMBL16895723 0.78 EGFR (0.59) HSD11B1TNFLITAFUSP30LMNA
SCHEMBL947135 0.77 LMNA (0.62) CCR5MEN1KMT2AOPRM1OPRD1
SCHEMBL14603888 0.77 JAK1 (0.45) CCR5TNFLITAFPIK3CAOPRM1
SCHEMBL17330563 0.77 PIK3CD (0.44) TNFLITAFIL1BP2RX7OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163012-B2 Carbamate and urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-10-20 — — US disclosed
US-9163012-B2 Carbamate and urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-10-20 — — US disclosed
EP-2438043-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2012-04-11 — — EP disclosed
US-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-03-03 — — US disclosed
US-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-03-03 — — US disclosed
WO-2010141424-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2010-12-09 — — WO disclosed
WO-2010141424-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2010-12-09 — — 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-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885STS 123/4885CCR5 2469/4885

“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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