SCHEMBL895612

SCHEMBL895612

NC1(N)CCc2ccc(O)cc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
OPRK1 P41145 7/20 0.41
OPRM1 P35372 7/20 0.41
OPRD1 P41143 6/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
PBRM1 Q86U86 1/20 0.38
POLA1 P09884 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
SCHEMBL11266819 0.88 SIGMAR1 (0.44) ALDH1A1LMNACYP3A4OPRK1OPRM1
SCHEMBL29646238 0.78 ALDH1A1 (0.44) ALDH1A1LMNACYP3A4OPRK1OPRM1
SCHEMBL218608 0.78 ALDH1A1 (0.44) ALDH1A1LMNACYP3A4OPRK1OPRM1
SCHEMBL29646235 0.78 ALDH1A1 (0.44) ALDH1A1LMNACYP3A4OPRK1OPRM1
SCHEMBL7408641 0.76 KDM4E (0.58) ALDH1A1LMNACYP3A4PBRM1
SCHEMBL4236973 0.75 ALDH1A1 (0.49) ALDH1A1LMNACYP3A4OPRK1OPRM1
Bromide SCHEMBL8768815 0.72 ESR1 (0.45) ALDH1A1LMNACYP3A4OPRK1OPRM1
SCHEMBL6267106 0.71 KDM1A (0.53) ALDH1A1CYP3A4
SCHEMBL29784907 0.71 KDM1A (0.53) ALDH1A1CYP3A4
SCHEMBL11100764 0.71 KDM4E (0.42) ALDH1A1LMNACYP3A4OPRK1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9879293-B2 Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-01-30 US claimed
US-20160177354-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS SAFC, INC. 2016-06-23 US claimed
EP-2462115-B1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS INFINITY PHARMACEUTICALS INC (US) 2016-01-06 EP claimed
US-8703448-B2 Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2014-04-22 US claimed
CN-102574791-A Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS INC 2012-07-11 CN claimed
EP-2462115-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS Infinity Pharmaceuticals, Inc. (US) 2012-06-13 EP claimed
US-20120083607-A1 Enzymatic Transamination of Cyclopamine Analogs INFINITY PHARMACEUTICALS, INC. (US) 2012-04-05 US claimed
WO-2011017551-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS INFINITY PHARMACEUTICALS, INC. (US) 2011-02-10 WO claimed
US-9879293-B2 Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-20160177354-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS SAFC, INC. 2016-06-23 US disclosed
EP-2462115-B1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS INFINITY PHARMACEUTICALS INC (US) 2016-01-06 EP disclosed
US-20140371456-A1 Enzymatic Transamination of Cyclopamine Analogs ROYALTY SECURITY, LLC 2014-12-18 US disclosed
US-8703448-B2 Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
CN-102574791-A Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS INC 2012-07-11 CN disclosed
EP-2462115-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS Infinity Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
US-20120083607-A1 Enzymatic Transamination of Cyclopamine Analogs INFINITY PHARMACEUTICALS, INC. (US) 2012-04-05 US disclosed
WO-2011017551-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS INFINITY PHARMACEUTICALS, INC. (US) 2011-02-10 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-20120083607-A1 Enzymatic Transamination of Cyclopamine Analogs TKT, TALDO1, BCHE ALDH1A1 693/4885LMNA 3784/4885CYP3A4 62/4885
US-20140371456-A1 Enzymatic Transamination of Cyclopamine Analogs TKT, TALDO1, BCHE ALDH1A1 693/4885LMNA 3784/4885CYP3A4 62/4885

“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.