SCHEMBL3845688

SCHEMBL3845688

Clc1ccc(Cn2cnnc2C2CCCN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CCR1 P32246 1/20 0.42
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LTA4H P09960 3/20 0.34
KLK7 P49862 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL3845687 1.00 LMNA (0.46) LMNACCR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL13375899 0.88 CYP2D6 (0.45) LMNACCR1SMN1; SMN2MAPTCYP11B1
SCHEMBL3852893 0.79 KCNH2 (0.44) LMNACCR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL13374859 0.79 KCNH2 (0.44) LMNACCR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3846038 0.77 LMNA (0.46) LMNAALDH1A1SMN1; SMN2MAPTTAAR1
SCHEMBL3846040 0.77 LMNA (0.46) LMNAALDH1A1SMN1; SMN2MAPTTAAR1
Hydrochloric Acid SCHEMBL3844425 0.76 LMNA (0.48) LMNAALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL3844985 0.76 LMNA (0.46) LMNACCR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3844987 0.76 LMNA (0.46) LMNACCR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3845171 0.75 LMNA (0.45) LMNACCR1ALDH1A1SMN1; SMN2MAPT

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 2 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-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 1/4885ALDH1A1 931/4885

“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.