SCHEMBL4848465

SCHEMBL4848465

NCc1cccc2cc(CN3CCNCC3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 7/20 0.48
SIGMAR1 Q99720 1/20 0.46
SLC6A4 P31645 1/20 0.45
HTR6 P50406 3/20 0.43
KMT2A Q03164 2/20 0.43
PRMT6 Q96LA8 1/20 0.43
MEN1 O00255 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA2C P18825 1/20 0.43
CCR2 P41597 1/20 0.43
CXCL12 P48061 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL4839412 0.90 KMT2A (0.51) SIGMAR1KMT2APRMT6MEN1
SCHEMBL4844432 0.87 PRMT6 (0.58) KMT2APRMT6TDP1HRH3
SCHEMBL4850572 0.86 PRMT6 (0.56) KMT2APRMT6TDP1HRH3
SCHEMBL4841024 0.84 NCF1 (0.61) CXCR4KMT2APRMT6TDP1HRH3
SCHEMBL4848459 0.78 GRM2 (0.50) CXCR4SIGMAR1HTR6KMT2AMEN1
SCHEMBL21799527 0.76 PRMT6 (0.72) CXCR4SIGMAR1KMT2APRMT6MEN1
SCHEMBL593143 0.76 SLC6A4 (0.71) CXCR4SIGMAR1SLC6A4HTR6KMT2A
SCHEMBL21800034 0.76 SIGMAR1 (0.66) CXCR4SIGMAR1KMT2APRMT6MEN1
SCHEMBL4847363 0.76 ROCK1 (0.49) HRH3
SCHEMBL16830448 0.75 SLC6A4 (0.69) CXCR4SIGMAR1SLC6A4HTR6KMT2A

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 CXCR4 1631/4885SIGMAR1 281/4885SLC6A4 95/4885

“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.