SCHEMBL12255441

SCHEMBL12255441

Cc1ccc(C2(F)CCNC2)cn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
SLC6A2 P23975 9/20 0.34
SLC6A4 P31645 9/20 0.34
SLC6A3 Q01959 9/20 0.34
CYP2D6 P10635 2/20 0.33
P2RX7 Q99572 1/20 0.33
HTR2A P28223 1/20 0.33
MAPKAPK2 P49137 1/20 0.31
ALOX5AP P20292 1/20 0.31

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
SCHEMBL13501889 0.77 DRD2 (0.41) PIM1PIM3PIM2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3549743 0.76 DRD2 (0.40) PIM1PIM3PIM2SLC6A2SLC6A4
SCHEMBL2280246 0.75 HTR2A (0.41) PIM1HTR2A
SCHEMBL28947779 0.72 SLC6A3 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6HTR2A
SCHEMBL12255443 0.71 OPRM1 (0.40) PIM1PIM3PIM2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL31412616 0.70 SLC6A3 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6HTR2A
SCHEMBL26081968 0.70 TSHR (0.33)
SCHEMBL15819350 0.70 HTR2A (0.59) SLC6A2SLC6A4SLC6A3CYP2D6HTR2A
SCHEMBL21098104 0.69 ADRA2A (0.34) P2RX7
SCHEMBL3125944 0.68 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6HTR2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 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 (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-20110230498-A1 BIARYL CARBOXAMIDES PAFAH1B3, PAFAH1B2, FAAH2 PIM1 4111/4885PIM3 3950/4885PIM2 3793/4885
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 PIM1 3067/4885PIM3 3354/4885PIM2 3149/4885

“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.