SCHEMBL1817669

SCHEMBL1817669

CCCN1CCc2cc(Br)ccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.61
HRH3 Q9Y5N1 14/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
SRD5A1 P18405 1/20 0.45
PKN2 Q16513 1/20 0.43
KCNH2 Q12809 2/20 0.43

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
SCHEMBL30334931 0.90 GRM5 (0.58) GRM5HRH3PRMT5WDR77SRD5A1
SCHEMBL24168658 0.90 GRM5 (0.58) GRM5HRH3PRMT5WDR77SRD5A1
SCHEMBL17511486 0.89 GRM5 (0.57) GRM5HRH3PRMT5WDR77SRD5A1
SCHEMBL5796029 0.88 PRMT5 (0.47) GRM5HRH3PRMT5WDR77SRD5A1
SCHEMBL1500127 0.85 PRF1 (0.44) GRM5PRMT5WDR77SRD5A1
SCHEMBL22123283 0.85 KDM4E (0.47) GRM5HRH3PRMT5WDR77SRD5A1
SCHEMBL4540354 0.83 HRH3 (0.44) GRM5HRH3PRMT5WDR77SRD5A1
SCHEMBL3654595 0.83 HRH3 (0.67) GRM5HRH3KCNH2
SCHEMBL25896981 0.82 GRM5 (0.61) GRM5HRH3PRMT5WDR77PKN2
SCHEMBL24934195 0.81 PRMT5 (0.53) GRM5HRH3PRMT5WDR77SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
EP-2496569-A2 HETEROCYCLIC DERIVATIVES MSD Oss B.V. (NL) 2012-09-12 EP disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
WO-2011051490-A2 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2011-05-05 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-20120220622-A1 HETEROCYCLIC DERIVATIVES GRIN2C, GRIN3A, GRIN2D GRM5 5/4885HRH3 596/4885PRMT5 1621/4885

“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.