SCHEMBL20615042

SCHEMBL20615042

CCCNCCc1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.52
▸ TAAR1 Q96RJ0 2/20 0.50
▸ DRD2 P14416 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ MPO P05164 2/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALOX12 P18054 1/20 0.38

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
SCHEMBL21243271 0.92 CHRM2 (0.59) CHRM2TAAR1MPOKMT2AMAPT
SCHEMBL10725177 0.86 TAAR1 (0.52) CHRM2TAAR1SLC6A2HTR2AMPO
SCHEMBL9201570 0.82 CHRM2 (0.50) CHRM2TAAR1MPOKMT2AMAPT
SCHEMBL13159608 0.82 CHRM2 (0.69) CHRM2KMT2AHTTMEN1
Hydrochloric Acid SCHEMBL9207321 0.81 CHRM2 (0.49) CHRM2TAAR1MPOKMT2AMAPT
SCHEMBL16268723 0.79 CHRM2 (0.47) CHRM2TAAR1SIGMAR1
SCHEMBL9490687 0.79 CHRM2 (0.56) CHRM2TAAR1DRD2SIGMAR1MAPT
SCHEMBL22762073 0.78 TAAR1 (0.63) CHRM2TAAR1DRD2SIGMAR1SLC6A2
SCHEMBL11274247 0.78 TAAR1 (0.48) TAAR1DRD2SIGMAR1SLC6A2HTR2A
SCHEMBL172293 0.78 TAAR1 (0.63) CHRM2TAAR1MPOKMT2AMEN1

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
EP-3189048-B1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-03-17 — — EP disclosed
WO-2020247860-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS TARGETING THE SKI COMPLEX UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-12-10 — — WO disclosed
US-20190002441-A1 6-HYDROXY-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBOXAMIDES AS APJ AGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-01-03 — — 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-20190002441-A1 6-HYDROXY-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBOXAMIDES AS APJ AGONISTS AP2A1, P2RX5, AP3M1 CHRM2 1154/4885TAAR1 1206/4885DRD2 1191/4885

“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.

Send feedback