SCHEMBL14770533

SCHEMBL14770533

CC(c1ccc(OCc2cc(F)ccc2F)cc1)c1nc2cncnc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.39
HTR2C P28335 10/20 0.35
SLC6A4 P31645 10/20 0.35
HTR2A P28223 7/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
ALKBH1 Q13686 1/20 0.33
MAOB P27338 1/20 0.33
POLB P06746 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL14774024 0.87 CACNA1C (0.41) CACNA1CHTR2CSLC6A4HTR2ACYP1A1
SCHEMBL14770531 0.83 CACNA1C (0.40) CACNA1CHTR2CSLC6A4HTR2ACYP1A1
SCHEMBL14770534 0.82 SMN1; SMN2 (0.39) CACNA1CCYP1A1CYP1A2CYP1B1ALKBH1
SCHEMBL14770538 0.82 CACNA1C (0.40) CACNA1CHTR2CSLC6A4HTR2ACYP1A1
SCHEMBL14770528 0.81 NPC1 (0.42) CACNA1CCYP1A1CYP1A2CYP1B1POLB
SCHEMBL14770537 0.79 CACNA1C (0.38) CACNA1CHTR2CSLC6A4HTR2ACYP1A1
SCHEMBL14770530 0.79 CACNA1C (0.38) CACNA1CHTR2CSLC6A4HTR2ACYP1A1
SCHEMBL14770532 0.79 AMY1A (0.38) CACNA1CCYP1A1CYP1A2CYP1B1MAOB
SCHEMBL14770527 0.79 CACNA1C (0.38) CACNA1CHTR2CSLC6A4HTR2ACYP1A1
SCHEMBL14770526 0.78 CACNA1C (0.48) CACNA1CHTR2CSLC6A4HTR2ACYP1A1

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-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 US disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 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-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE CACNA1E, CACNA1G, CACNA1A CACNA1C 16/4885HTR2C 1506/4885SLC6A4 656/4885

“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.