SCHEMBL12789870

SCHEMBL12789870

Cc1ccc(N(C)c2ccc3nc(C)n(C(c4ccccc4)c4ccccn4)c(=O)c3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL12788843 0.92 POLB (0.38) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL12788643 0.90 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KDM4ELMNARAB9A
SCHEMBL12788546 0.85 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL12789851 0.84 POLB (0.45) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL12788657 0.84 KDM4C (0.37) ALDH1A1SMN1; SMN2CYP3A4CYP2C19KDM4E
SCHEMBL12788865 0.83 KDM4C (0.36) ALDH1A1SMN1; SMN2KDM4ELMNARAB9A
SCHEMBL12788756 0.83 CHRM2 (0.36) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL12788621 0.83 KDM4C (0.38) ALDH1A1SLC6A3LMNARAB9A
SCHEMBL12789907 0.82 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KMT2ATSHRKDM4E
SCHEMBL12788639 0.81 KDM4E (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR

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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 — — 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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 CHRM2 1155/4885SLC6A2 2752/4885SLC6A4 2436/4885

“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.

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