SCHEMBL1880486

SCHEMBL1880486

COc1ccc(C2CNCCC[N]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.48
KDM1A O60341 3/20 0.41
MAOB P27338 2/20 0.41
HTR2C P28335 3/20 0.39
HTR2B P41595 2/20 0.39
MMP1 P03956 2/20 0.38
MMP9 P14780 2/20 0.38
MMP13 P45452 2/20 0.38
NISCH Q9Y2I1 1/20 0.37
REN P00797 2/20 0.37
HTR2A P28223 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL9331689 0.90 MAOA (0.50) MAOAKDM1AMAOBHTR2CHTR2B
SCHEMBL4264590 0.82 KDM1A (0.44) KDM1AMMP1MMP9NISCH
SCHEMBL4168557 0.74 KDM4E (0.38) MAOAHTR2CHTR2BHTR2AALDH1A1
SCHEMBL4968647 0.74 KDM4E (0.38) MAOAHTR2CHTR2BHTR2AALDH1A1
SCHEMBL10518245 0.74 MAOA (0.54) MAOAMAOB
SCHEMBL2145393 0.73 HTR2A (0.55) MAOAHTR2CHTR2A
SCHEMBL28301764 0.73 HTR2A (0.55) MAOAHTR2CHTR2A
SCHEMBL9158101 0.73 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL2218295 0.73 HTR2C (0.54) KDM1AHTR2CHTR2BNISCHHTR2A
SCHEMBL16874793 0.72 CYP2D6 (0.53) MAOAHTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 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-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 MAOA 1193/4885KDM1A 2737/4885MAOB 754/4885

“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.