SCHEMBL533805

SCHEMBL533805

Cn1ccc(C2CCNCC2)cc1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.47
HTR2C P28335 8/20 0.47
QDPR P09417 1/20 0.45
SLC18A3 Q16572 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR6 P50406 2/20 0.41
USP7 Q93009 1/20 0.40
REN P00797 2/20 0.39
KCNH2 Q12809 2/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 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
Hydrochloric Acid SCHEMBL2884886 0.98 HTR2C (0.49) PLGHTR2CQDPRSLC18A3SIGMAR1
SCHEMBL21475943 0.88 QDPR (0.41) QDPRSLC18A3SIGMAR1HTR6
SCHEMBL629693 0.81 ESR2 (0.44) QDPR
SCHEMBL12975679 0.78 PLG (0.45) PLGHTR2CQDPRSLC18A3SIGMAR1
SCHEMBL16977251 0.77 REN (0.47) RENKCNH2
SCHEMBL12975670 0.76 QDPR (0.41) PLGHTR2CQDPRSLC18A3SIGMAR1
SCHEMBL23442948 0.74 SLC6A2 (0.49) HTR2CQDPRSLC18A3SIGMAR1KCNH2
SCHEMBL29891558 0.74 SLC6A2 (0.49) HTR2CQDPRSLC18A3SIGMAR1KCNH2
SCHEMBL5584815 0.74 QDPR (0.46) HTR2CQDPRSLC18A3SIGMAR1HTR6
SCHEMBL629587 0.74 IKBKE (0.38) QDPR

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
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 US disclosed
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 US disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MC1R, MCHR1, MCHR2 PLG 4351/4885HTR2C 90/4885QDPR 290/4885

“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.