SCHEMBL2617022

SCHEMBL2617022

NC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3n2)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
CHRM1 P11229 1/20 0.53
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
DPP4 P27487 6/20 0.49
KMT2A Q03164 2/20 0.48
KCNH2 Q12809 2/20 0.44
TOP1 P11387 1/20 0.42
DRD1 P21728 1/20 0.42
TOP2A P11388 6/20 0.41
TOP2B Q02880 6/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ABCC4 O15439 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL10747566 0.85 KDM4E (0.47) CHRM2ALDH1A1DPP4KMT2AKCNH2
SCHEMBL18739877 0.84 KMT2A (0.42) CHRM2ALDH1A1POLBCHRM1OPRM1
SCHEMBL10501993 0.83 KDM4E (0.54) CHRM2ALDH1A1POLBOPRM1DPP4
SCHEMBL10743308 0.83 CSF1R (0.47) CHRM2ALDH1A1DPP4KMT2AKCNH2
SCHEMBL10554614 0.81 KCNH2 (0.48) CHRM2ALDH1A1DPP4KMT2AKCNH2
SCHEMBL10747557 0.81 DPP4 (0.45) CHRM2ALDH1A1DPP4KMT2AKCNH2
SCHEMBL9838735 0.81 KMT2A (0.69) CHRM2ALDH1A1POLBCHRM1OPRM1
SCHEMBL13576371 0.81 KMT2A (0.69) CHRM2ALDH1A1POLBCHRM1OPRM1
SCHEMBL4575476 0.81 KMT2A (0.69) CHRM2ALDH1A1POLBCHRM1OPRM1
SCHEMBL7823113 0.80 KMT2A (0.52) CHRM2ALDH1A1POLBCHRM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4840954-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US claimed
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2012-04-19 US disclosed
US-4840954-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 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-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER RNASE1, DCLRE1B, FEN1 CHRM2 4883/4885ALDH1A1 1675/4885POLB 36/4885

“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.