SCHEMBL3846038

SCHEMBL3846038

Clc1ccc(Cn2c(Cl)nnc2[C@H]2CCCN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 3/20 0.36
TAAR1 Q96RJ0 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
LTA4H P09960 3/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HRH1 P35367 2/20 0.35
CHRM1 P11229 1/20 0.35
NR1I2 O75469 1/20 0.34
ABCB11 O95342 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL3846040 1.00 LMNA (0.46) LMNAMAPTKDM4EPOLBALDH1A1
Hydrochloric Acid SCHEMBL3844425 0.99 LMNA (0.48) LMNAMAPTKDM4EPOLBALDH1A1
SCHEMBL3845171 0.87 LMNA (0.45) LMNAMAPTKDM4EPOLBALDH1A1
SCHEMBL3845173 0.87 LMNA (0.45) LMNAMAPTKDM4EPOLBALDH1A1
Hydrochloric Acid SCHEMBL3844559 0.86 LMNA (0.46) LMNAMAPTKDM4EPOLBALDH1A1
Hydrochloric Acid SCHEMBL3845355 0.86 LMNA (0.46) LMNAMAPTKDM4EPOLBALDH1A1
SCHEMBL3849041 0.85 LMNA (0.43) LMNAMAPTKDM4EPOLBALDH1A1
SCHEMBL3847647 0.85 LMNA (0.43) LMNAMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3849037 0.85 LMNA (0.43) LMNAMAPTKDM4EPOLBALDH1A1
SCHEMBL3847646 0.85 LMNA (0.43) LMNAMAPTALDH1A1SMN1; SMN2L3MBTL1

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 6 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
US-8288371-B2 Ortho pyrrolidine, benzyl-substituted heterocycle CCR1 antagonists for autoimmune diseases and inflammation PHARMACOPEIA, LLC (US) 2012-10-16 US disclosed
US-8288371-B2 Ortho pyrrolidine, benzyl-substituted heterocycle CCR1 antagonists for autoimmune diseases and inflammation PHARMACOPEIA, LLC (US) 2012-10-16 US disclosed
US-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-04-09 US disclosed
US-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-04-09 US 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 4498/4885MAPT 4035/4885KDM4E 2424/4885

“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.