SCHEMBL4848459

SCHEMBL4848459

NC(=O)c1cccc2cc(CN3CCNCC3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.50
PARP1 P09874 7/20 0.45
CHRM3 P20309 2/20 0.45
CXCR4 P61073 2/20 0.45
PARP2 Q9UGN5 3/20 0.45
PARP3 Q9Y6F1 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTR6 P50406 2/20 0.43
SIGMAR1 Q99720 1/20 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
SCHEMBL4839401 0.91 KMT2A (0.51) PARP1PARP2PARP3KDM4EALDH1A1
SCHEMBL4844426 0.88 PARP1 (0.56) PARP1PARP2PARP3KDM4EALDH1A1
SCHEMBL4850567 0.87 PARP1 (0.57) PARP1PARP2PARP3KDM4EALDH1A1
SCHEMBL4841013 0.85 PARP1 (0.58) GRM2PARP1PARP2PARP3KDM4E
SCHEMBL28844223 0.80 PARP1 (0.49) GRM2PARP1CHRM3CXCR4PARP2
SCHEMBL4848465 0.78 CXCR4 (0.48) CXCR4MEN1KMT2AHTR6SIGMAR1
SCHEMBL20567143 0.76 CHRM3 (0.51) GRM2PARP1CHRM3CXCR4PARP2
SCHEMBL30799020 0.76 SLC6A4 (0.58) CHRM3SIGMAR1
SCHEMBL4176561 0.76 SLC6A4 (0.58) CHRM3SIGMAR1
SCHEMBL4847358 0.75 KDM4E (0.57) PARP1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368462-B1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2008-05-06 US disclosed
US-20080058423-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY 2008-03-06 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 (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-20080058423-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC4R GRM2 551/4885PARP1 4873/4885CHRM3 479/4885

“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.