SCHEMBL4989120

SCHEMBL4989120

CCCN1CCN(C(=O)C(N)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.55
▸ HRH1 P35367 1/20 0.55
▸ CHRM3 P20309 2/20 0.53
▸ CHRM1 P11229 4/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.50
▸ OPRK1 P41145 1/20 0.49
▸ ROCK2 O75116 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ DRD2 P14416 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL9292241 0.89 CHRM3 (0.67) HRH2HRH1CHRM3CHRM1OPRK1
SCHEMBL4984605 0.88 CHRM1 (0.66) HRH2HRH1CHRM1ROCK2CYP3A4
SCHEMBL18390259 0.83 CHRM1 (0.61) HRH2HRH1CHRM3CHRM1ROCK2
Hydrochloric Acid SCHEMBL21995057 0.83 ROCK2 (0.54) HRH2HRH1CHRM3CHRM1ROCK2
Hydrochloric Acid SCHEMBL21995059 0.83 ROCK2 (0.54) HRH2HRH1CHRM3CHRM1ROCK2
SCHEMBL5007669 0.78 DPP4 (0.54) HRH2HRH1CHRM3CHRM1ROCK2
SCHEMBL14027830 0.78 DPP4 (0.54) HRH2HRH1CHRM3CHRM1ROCK2
SCHEMBL18704999 0.78 CHRM1 (0.63) CHRM1HRH3ROCK2CYP3A4MEN1
SCHEMBL22642320 0.77 ROCK2 (0.50) HRH2HRH1CHRM3CHRM1ROCK2
Hydrochloric Acid SCHEMBL4741021 0.77 DPP4 (0.52) HRH2HRH1CHRM3CHRM1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 — — US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 — — US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 — — US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 — — US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 — — US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 — — 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 (3 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-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN HRH2 1182/4885HRH1 1159/4885CHRM3 1283/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 HRH2 1207/4885HRH1 1309/4885CHRM3 2709/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 HRH2 1207/4885HRH1 1309/4885CHRM3 2709/4885

“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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