SCHEMBL3845173

SCHEMBL3845173

Cc1nnc(C2CCCN2)n1Cc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
CCR1 P32246 1/20 0.44
AVPR1A P37288 3/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
RAB9A P51151 1/20 0.40
CCNC P24863 4/20 0.40
CDK8 P49336 4/20 0.40
KCNH2 Q12809 4/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
LATS2 Q9NRM7 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL3845171 1.00 LMNA (0.45) LMNACCR1AVPR1APOLBMAPT
Hydrochloric Acid SCHEMBL3844559 0.99 LMNA (0.46) LMNACCR1AVPR1APOLBMAPT
Hydrochloric Acid SCHEMBL3845355 0.99 LMNA (0.46) LMNACCR1AVPR1APOLBMAPT
SCHEMBL3846038 0.87 LMNA (0.46) LMNAPOLBMAPTKDM4EALDH1A1
SCHEMBL3846040 0.87 LMNA (0.46) LMNAPOLBMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3844425 0.86 LMNA (0.48) LMNAPOLBMAPTKDM4EALDH1A1
SCHEMBL3849037 0.85 LMNA (0.43) LMNAPOLBMAPTKDM4EALDH1A1
SCHEMBL3849041 0.85 LMNA (0.43) LMNAPOLBMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3845147 0.84 LMNA (0.45) LMNAPOLBMAPTKDM4EALDH1A1
SCHEMBL3847646 0.82 LMNA (0.43) LMNAMAPTALDH1A1KCNH2L3MBTL1

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-8288371-B2 Ortho pyrrolidine, benzyl-substituted heterocycle CCR1 antagonists for autoimmune diseases and inflammation PHARMACOPEIA, LLC (US) 2012-10-16 US disclosed
WO-2009082526-A2 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-07-02 WO disclosed
WO-2009082526-A2 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-07-02 WO disclosed
US-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-04-09 US 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-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION CCR1, CCR4, CCR3 LMNA 4498/4885CCR1 1/4885AVPR1A 304/4885

“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.