SCHEMBL7119762

SCHEMBL7119762

Fc1ccc(NC2CCNCC2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.42
CHRM1 P11229 6/20 0.42
CHRM3 P20309 6/20 0.42
HPGD P15428 1/20 0.41
TDO2 P48775 1/20 0.41
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
AXL P30530 1/20 0.40
NR4A2 P43354 1/20 0.39
KCNH2 Q12809 1/20 0.39
CCNT1 O60563 1/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
MAPK1 P28482 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38

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
SCHEMBL3712720 0.85 RAB9A (0.46) HPGDMAPK1
SCHEMBL10820261 0.83 NPC1 (0.43) TDO2MAPK14MAPK13MAPK12MAPK11
SCHEMBL27644583 0.83 RAB9A (0.44) MAPK1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL71413 0.82 ACKR3 (0.42) TDO2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7053215 0.78 CYP1A2 (0.47) CCNT1SLC6A2SLC6A4CYP2D6
SCHEMBL20817932 0.77 BRD4 (0.46) TDO2CTSLCTSBCTSSCTSK
SCHEMBL25389333 0.77 KMT2A (0.48) CHRM2CHRM1CHRM3MAPK1SLC6A2
Hydrochloric Acid SCHEMBL7051185 0.77 CYP1A2 (0.46) CCNT1SLC6A2SLC6A4CYP2D6
Hydrochloric Acid SCHEMBL73130 0.77 MAPK1 (0.45) TDO2MAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL83169 0.76 CYP1A2 (0.48) MAPK14MAPK13MAPK12MAPK11CCNT1

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-6656956-B2 Tryptase inhibitor; antiinflamamtory agents, antiallergens BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
US-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-06-05 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-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions CMA1, TPSD1, TPSAB1 CHRM2 404/4885CHRM1 204/4885CHRM3 384/4885

“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.