SCHEMBL10177547

SCHEMBL10177547

CCC1CCC(c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.54
HTR2B P41595 4/20 0.52
POLB P06746 3/20 0.51
GID4 Q8IVV7 1/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.48
NPY5R Q15761 1/20 0.48
DDAH1 O94760 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL2276872 0.88 ALDH1A1 (0.59) IDO1HTR2BPOLBGID4PKM
Hydrochloric Acid SCHEMBL31596380 0.87 MAPT (0.57) HTR2BPOLBGID4PKMMAPT
SCHEMBL5024044 0.86 IDO1 (0.52) IDO1HTR2BPOLBGID4PKM
SCHEMBL5024041 0.86 IDO1 (0.52) IDO1HTR2BPOLBGID4PKM
SCHEMBL7266112 0.85 GID4 (0.51) IDO1HTR2BPOLBGID4PKM
SCHEMBL7266106 0.85 GID4 (0.51) IDO1HTR2BPOLBGID4PKM
SCHEMBL6753945 0.84 TRPC3 (0.55) HTR2BPOLBGID4PKMMAPT
Ammonia Solution, Strong SCHEMBL5028354 0.83 TRPC3 (0.54) HTR2BPOLBGID4PKMMAPT
SCHEMBL2640300 0.83 PARP1 (0.56) HTR2BPOLBGID4PKMMAPT
SCHEMBL6756134 0.82 NPC1 (0.59) HTR2BPOLBMAPTNPY5RKMT2A

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-9067951-B2 Process and intermediates for the production of CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-30 US disclosed
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-13 US disclosed
US-8835440-B2 Cyclic pyrimidin-4-carboxamides as CCR2 receptor antagonists for treatment of inflammation, asthma and COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 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 (2 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-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR1, CCR5 IDO1 452/4885HTR2B 537/4885POLB 2606/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 IDO1 357/4885HTR2B 612/4885POLB 3067/4885

“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.