SCHEMBL1035640

SCHEMBL1035640

O=C(O)N[C@@H]1CCN[C@@H]1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
TACR1 P25103 7/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GBA1 P04062 1/20 0.40
SLC6A2 P23975 1/20 0.39
KDM1A O60341 3/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SSTR4 P31391 1/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL1035639 1.00 TSHR (0.41) TSHRTACR1SMN1; SMN2NPSR1SLC18A3
SCHEMBL1035641 1.00 TSHR (0.41) TSHRTACR1SMN1; SMN2NPSR1SLC18A3
SCHEMBL22804849 0.82 SSTR4 (0.44) TACR1SMN1; SMN2NPSR1SIGMAR1SSTR4
SCHEMBL22804850 0.82 SSTR4 (0.44) TACR1SMN1; SMN2NPSR1SIGMAR1SSTR4
SCHEMBL22804852 0.82 SSTR4 (0.44) TACR1SMN1; SMN2NPSR1SIGMAR1SSTR4
SCHEMBL12596343 0.81 KDM1A (0.53) TACR1KDM1AGAASSTR4MAOB
SCHEMBL1033997 0.81 HTR2C (0.46) TSHRNPSR1KDM1AGAASSTR4
SCHEMBL1033999 0.81 HTR2C (0.46) TSHRNPSR1KDM1AGAASSTR4
SCHEMBL1033996 0.81 HTR2C (0.46) TSHRNPSR1KDM1AGAASSTR4
SCHEMBL6828195 0.80 SMN1; SMN2 (0.53) TACR1SMN1; SMN2NPSR1

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-8828985-B2 Carbamate and urea inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 CLAREMON DAVID A (US) 2013-09-19 US disclosed
US-8399504-B2 Carbamate and urea inhibitors of 11Beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC 2011-05-12 US disclosed
EP-2276730-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-01-26 EP disclosed
WO-2009131669-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-10-29 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 (2 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-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 TSHR 2610/4885TACR1 1953/4885SMN1; SMN2 4039/4885
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD17B1 TSHR 2158/4885TACR1 2737/4885SMN1; SMN2 3298/4885

“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.