SCHEMBL2530004

SCHEMBL2530004

C1CC2C3CCC(CC3)C2CN1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.32
KCNH2 Q12809 1/20 0.31
SLC6A1 P30531 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRB2 P47870 2/20 0.30
SLC6A12 P48065 2/20 0.30
SLC6A11 P48066 2/20 0.30
SLC6A13 Q9NSD5 2/20 0.30
CCR5 P51681 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRR1 P24046 1/20 0.30
GABRA4 P48169 1/20 0.30

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
SCHEMBL3967283 0.85 HTR2C (0.35)
SCHEMBL32167197 0.81 CCR5 (0.47) CCR5
SCHEMBL24210962 0.79 HTR2C (0.43) HTR3ACCR5
SCHEMBL4213177 0.79 HTR2C (0.39) HTR3ACCR5
Hydrochloric Acid SCHEMBL32672841 0.78 CCR5 (0.44) CCR5
SCHEMBL18738154 0.74 KCNH2 (0.31) KCNH2
SCHEMBL27487228 0.71
SCHEMBL17006846 0.69
SCHEMBL17329451 0.69 CCR5 (0.41) CCR5
SCHEMBL1830086 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232360-B2 Stereoregular ROMP polymers RESEARCH FOUNDATION OF STATE UNIVERSITY OF N.Y. (US) 2012-07-31 US disclosed
US-20110251363-A1 STEREOREGULAR ROMP POLYMERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-10-13 US disclosed
WO-2008019217-A2 STEREOREGULAR ROMP POLYMERS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-02-14 WO disclosed
WO-2005059098-A2 METHODS AND COMPOSITIONS FOR TREATING AND/OR PREVENTING NEURODEGENERATIVE CONDITIONS CREIGHTON UNIVERSITY (US) 2005-06-30 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-20110251363-A1 STEREOREGULAR ROMP POLYMERS PCBP1, PARG, OSGEP HTR3A 3624/4885KCNH2 4129/4885SLC6A1 3705/4885

“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.