SCHEMBL5221265

SCHEMBL5221265

O=C(C=Cc1ccc(Cl)cc1)N1CCCC1CN1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 1.00
KCNH2 Q12809 2/20 0.73
OPRK1 P41145 4/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49
OPRD1 P41143 1/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
DRD4 P21917 1/20 0.48
SLC6A3 Q01959 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CCR2 P41597 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
SCHEMBL14409309 1.00 HRH3 (1.00) HRH3KCNH2OPRK1NPC1CYP1A2
SCHEMBL14409493 0.99 HRH3 (0.98) HRH3KCNH2OPRK1NPC1CYP1A2
SCHEMBL5958400 0.99 HRH3 (0.98) HRH3KCNH2OPRK1NPC1CYP1A2
SCHEMBL5218197 0.98 HRH3 (0.95) HRH3KCNH2OPRK1NPC1CYP1A2
SCHEMBL14409453 0.98 HRH3 (0.95) HRH3KCNH2OPRK1NPC1CYP1A2
SCHEMBL5220654 0.88 HRH3 (0.78) HRH3KCNH2OPRD1KMT2A
SCHEMBL14409351 0.88 HRH3 (0.78) HRH3KCNH2OPRK1NPC1OPRD1
SCHEMBL5220708 0.88 HRH3 (0.78) HRH3KCNH2CCR2KMT2A
SCHEMBL14409420 0.88 HRH3 (0.78) HRH3KCNH2OPRD1KMT2A
SCHEMBL5216166 0.88 HRH3 (0.78) HRH3KCNH2CCR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474419-B1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK AS (DK) 2007-09-05 EP disclosed
US-7101898-B2 For therapy of allergic rhinitis, ulcer or anorexia, diabetes, Alzheimer's disease, narcolepsy or attention deficit disorder NOVO NORDISK A/S (DK) 2006-09-05 US disclosed
EP-1474419-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HIGH POINT PHARMACEUTICALS, LLC 2003-10-16 US disclosed
WO-2003064411-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2003-08-07 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-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HRH3, HRH2, HRH4 HRH3 1/4885KCNH2 294/4885OPRK1 72/4885

“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.