SCHEMBL6884875

SCHEMBL6884875

CN1CCN(c2nc3cc(F)ccc3[nH]2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
HRH4 Q9H3N8 6/20 0.50
HTR3A P46098 6/20 0.49
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
OPRL1 P41146 1/20 0.45
TNKS O95271 1/20 0.44
PARP1 P09874 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TRPC3 Q13507 1/20 0.43

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
SCHEMBL14046593 0.88 NPC1 (0.70) NPC1RAB9AHRH4HTR3AHPGD
SCHEMBL6883751 0.84 NPC1 (0.76) NPC1RAB9AHRH4HTR3AHTR3E
SCHEMBL7222269 0.84 HTR3A (0.63) NPC1RAB9AHRH4HTR3AHPGD
SCHEMBL604887 0.83 HRH4 (0.73) HRH4HTR3AHTR3EHTR3BHTR3D
SCHEMBL6236251 0.82 NPC1 (0.58) NPC1RAB9AHRH4HTR3AALDH1A1
SCHEMBL7535651 0.80 HTR1A (0.41) NPC1RAB9AHTR3AHTR3EHTR3B
SCHEMBL7529602 0.79 HTR1A (0.42) NPC1RAB9AHTR3AHTR3EHTR3B
SCHEMBL5309716 0.78 BCHE (0.71) NPC1RAB9AHRH4HTR3AHTR3E
SCHEMBL602130 0.74 HRH4 (0.81) HRH4
SCHEMBL2413995 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515656-B1 AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-08-06 EP disclosed
US-8383638-B2 Aminobenzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME (US) 2013-02-26 US disclosed
US-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2012-10-18 US disclosed
WO-2011084371-A1 AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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 (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-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators CHRM1, OPRL1, MTNR1B NPC1 2180/4885RAB9A 858/4885HRH4 207/4885

“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.