SCHEMBL7121023

SCHEMBL7121023

NC1C2CCN(C2)C1C(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
NPC1 O15118 1/20 0.47
MTOR P42345 1/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
THPO P40225 1/20 0.47

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
SCHEMBL6604556 0.90 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL13875665 0.90 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL6135412 0.90 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL8078188 0.90 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL14364969 0.90 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL6135633 0.90 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL9185372 0.90 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL472020 0.90 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL9532928 0.77 TACR1 (0.46) TACR1
SCHEMBL9537788 0.77 TACR1 (0.46) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342028-B2 Medical use for tachykinin antagonists GLAXO GROUP LIMITED (GB) 2008-03-11 US disclosed
US-7342028-B2 Medical use for tachykinin antagonists GLAXO GROUP LIMITED (GB) 2008-03-11 US disclosed
US-7214692-B2 Medical use for tachykinin antagonists GLAXO GROUP LIMITED (GB) 2007-05-08 US disclosed
US-7214692-B2 Medical use for tachykinin antagonists GLAXO GROUP LIMITED (GB) 2007-05-08 US disclosed
US-20030162766-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. 2003-08-28 US disclosed
US-6369074-B1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. 2002-04-09 US disclosed
US-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists HOWARD HARRY R (US) 2001-09-20 US disclosed
EP-0806423-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance p antagonists PFIZER INC. (US) 1997-11-12 EP disclosed
EP-0675886-A1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1995-10-11 EP disclosed
WO-1994013663-A1 AMINOMETHYLENE SUBSTITUTED NON-AROMATIC HETEROCYCLES AND USE AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO 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 (2 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-20010023248-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists NPY1R, OPRK1, OPRL1 TACR1 5/4885CHRNB4 175/4885CHRNA3 70/4885
US-20030162766-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists NPY1R, OPRK1, TACR1 TACR1 3/4885CHRNB4 171/4885CHRNA3 63/4885

“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.