SCHEMBL10256239

SCHEMBL10256239

Cc1cc(CN)cc(C)c1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.39
POLB P06746 1/20 0.34
HTR1B P28222 1/20 0.31
NSD3 Q9BZ95 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL16473044 0.76 ACHE (0.39) HTR1DPOLBHTR1B
SCHEMBL91292 0.74 LOXL2 (0.35) NSD3
SCHEMBL8338812 0.73 CYP2C9 (0.57) POLB
SCHEMBL4351698 0.72 ALDH1A1 (0.52) POLBNSD3NOS3NOS1NOS2
SCHEMBL15874052 0.72 HTR1D (0.38) HTR1DNSD3
SCHEMBL10256976 0.72 POLB (0.44) HTR1DPOLBHTR1B
SCHEMBL10256123 0.71 PDE2A (0.41) HTR1D
SCHEMBL27430698 0.71 HTR1D (0.44) HTR1DPOLBHTR1B
SCHEMBL8388461 0.71 ALDH1A1 (0.42) POLB
SCHEMBL22914917 0.71 ALDH1A1 (0.42) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745313-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-29 US disclosed
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-15 US disclosed
US-9453029-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-24 US disclosed
US-9079918-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 US disclosed
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 US disclosed
US-8940720-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-20 US disclosed
US-8828983-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-09 US disclosed
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US 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 (6 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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 HTR1D 3484/4885POLB 4561/4885HTR1B 3029/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 HTR1D 3484/4885POLB 4561/4885HTR1B 3029/4885
US-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 HTR1D 3484/4885POLB 4561/4885HTR1B 3029/4885
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 HTR1D 3484/4885POLB 4561/4885HTR1B 3029/4885
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 HTR1D 3484/4885POLB 4561/4885HTR1B 3029/4885
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 HTR1D 3484/4885POLB 4561/4885HTR1B 3029/4885

“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.