SCHEMBL1495974

SCHEMBL1495974

CC(C)(C)CCN1CCC(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CACNA1I Q9P0X4 7/20 0.44
KCNH2 Q12809 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
LTA4H P09960 1/20 0.40
DPP4 P27487 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
Water SCHEMBL5552633 0.96 LMNA (0.44) LMNACACNA1IKCNH2SMN1; SMN2LTA4H
Water SCHEMBL5552627 0.95 LMNA (0.42) LMNACACNA1IKCNH2SMN1; SMN2LTA4H
SCHEMBL14552737 0.89 SMN1; SMN2 (0.43) LMNACACNA1IKCNH2SMN1; SMN2
SCHEMBL12155335 0.89 SMN1; SMN2 (0.43) LMNACACNA1IKCNH2SMN1; SMN2
SCHEMBL12788530 0.85 CACNA1I (0.44) CACNA1IKCNH2SMN1; SMN2DPP4OPRM1
SCHEMBL13656341 0.84 SMN1; SMN2 (0.59) LMNACACNA1IKCNH2SMN1; SMN2DPP4
SCHEMBL19514340 0.82 LTA4H (0.47) LMNASMN1; SMN2LTA4HL3MBTL1HRH3
SCHEMBL3326983 0.81 LTA4H (0.40) LMNASMN1; SMN2LTA4HL3MBTL1HRH3
SCHEMBL13905848 0.81 LMNA (0.49) LMNASMN1; SMN2L3MBTL1
SCHEMBL14552700 0.81 CACNA1H (0.40) CACNA1IKCNH2SMN1; SMN2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101563347-A Vasopressin V1a antagonists VANTIA LTD (GB) 2009-10-21 CN claimed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US claimed
EP-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP claimed
EP-1632494-A1 Vasopressin v1a antagonists FERRING B.V. (NL) 2006-03-08 EP claimed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO claimed
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
CN-102617580-B Vasopressin v1a antagonists VANTIA LTD 2015-03-04 CN disclosed
US-20130012491-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2013-01-10 US disclosed
US-20130012491-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2013-01-10 US disclosed
CN-102617580-A Vasopressin V1a Antagonists FERRING BV 2012-08-01 CN disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-7514447-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-04-07 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
EP-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 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 (3 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-20130012491-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR5 LMNA 2931/4885CACNA1I 1857/4885KCNH2 3243/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE LMNA 710/4885CACNA1I 1134/4885KCNH2 837/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B LMNA 2881/4885CACNA1I 193/4885KCNH2 304/4885

“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.