SCHEMBL3143909

SCHEMBL3143909

NC1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.52
CXCR3 P49682 1/20 0.52
OPRL1 P41146 3/20 0.50
OPRM1 P35372 2/20 0.50
IDO1 P14902 2/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
JAK3 P52333 1/20 0.48
PDE2A O00408 1/20 0.45
S1PR1 P21453 1/20 0.45
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
DPP4 P27487 1/20 0.41

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
SCHEMBL2311871 0.84 CXCR3 (0.53) CXCR3JAK2JAK1TYK2JAK3
SCHEMBL3150313 0.82 SMN1; SMN2 (0.65) OPRL1OPRM1POLBSMN1; SMN2SIGMAR1
SCHEMBL8140940 0.82 JAK2 (0.48) CXCR3JAK2JAK1TYK2JAK3
SCHEMBL4033714 0.81 SIGMAR1 (0.51) CXCR3JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL4036112 0.81 SMN1; SMN2 (0.63) OPRL1OPRM1POLBSMN1; SMN2SIGMAR1
Hydrochloric Acid SCHEMBL2214408 0.81 SMN1; SMN2 (0.63) OPRL1OPRM1POLBSMN1; SMN2SIGMAR1
SCHEMBL10687052 0.80 FAAH (0.57) FAAHCXCR3OPRL1OPRM1IDO1
SCHEMBL8109237 0.79 KDM4E (0.65) SIGMAR1KDM4EALDH1A1
SCHEMBL6941820 0.79 KDM4E (0.65) SIGMAR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL10503321 0.79 FAAH (0.56) FAAHCXCR3OPRL1OPRM1IDO1

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
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 US disclosed
CN-101351448-A Novel 1-benzyl-4-piperidinamines for the treatment of COPD and asthma ASTRAZENECA AB (SE) 2009-01-21 CN disclosed
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 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-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 FAAH 760/4885CXCR3 113/4885OPRL1 135/4885

“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.