SCHEMBL6854749

SCHEMBL6854749

Clc1ccc(CCC[C@@H]2CCCCN2CC2CC2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.56
OPRK1 P41145 4/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
OPRD1 P41143 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL6851261 0.80 SLC18A3 (0.48) NPC1
SCHEMBL7097984 0.76 IGF1R (0.49) SIGMAR1OPRK1ALDH1A1CYP1A2CYP3A4
SCHEMBL11938903 0.76 SIGMAR1 (0.51) SIGMAR1OPRK1ALDH1A1SMN1; SMN2
SCHEMBL6857100 0.76 SLC18A3 (0.46)
SCHEMBL6855153 0.76 SLC18A3 (0.46)
SCHEMBL11932456 0.73 SIGMAR1 (0.46) SIGMAR1OPRK1ALDH1A1CYP1A2CYP3A4
SCHEMBL11938900 0.73 SIGMAR1 (0.53) SIGMAR1OPRK1ALDH1A1CYP1A2CYP3A4
SCHEMBL6857568 0.72 SIGMAR1 (0.41) SIGMAR1OPRK1CYP1A2CYP3A4CYP2D6
SCHEMBL6857578 0.72 SIGMAR1 (0.41) SIGMAR1OPRK1CYP1A2CYP3A4CYP2D6
SCHEMBL6859020 0.72 SIGMAR1 (0.41) SIGMAR1OPRK1CYP1A2CYP3A4CYP2D6

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
US-20030139448-A1 N-(cyclopropylmethyl)azacycloalkanes, compositions containing them and methods of preparation WARNER-LAMBERT COMPANY 2003-07-24 US claimed
EP-1321461-A1 N-(Cyclopropylmethyl)-azacycloalkanes, compositions containing them and methods for their preparation Warner-Lambert Company LLC (US) 2003-06-25 EP claimed
US-6787563-B2 ANTIDIARRHEA AGENTS; GASTROINTESTINAL DISORDERS PFIZER INC. 2004-09-07 US disclosed
US-20030139448-A1 N-(cyclopropylmethyl)azacycloalkanes, compositions containing them and methods of preparation WARNER-LAMBERT COMPANY 2003-07-24 US disclosed
EP-1321461-A1 N-(Cyclopropylmethyl)-azacycloalkanes, compositions containing them and methods for their preparation Warner-Lambert Company LLC (US) 2003-06-25 EP 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-20030139448-A1 N-(cyclopropylmethyl)azacycloalkanes, compositions containing them and methods of preparation DNMT1, TPMT, AZI2 SIGMAR1 142/4885OPRK1 35/4885ALDH1A1 898/4885

“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.