SCHEMBL2224282

SCHEMBL2224282

Cc1ccc2ccc(C(=O)O)cc2n1.[LiH]

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 2/20 0.52
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
HSP90AA1 P07900 1/20 0.47
ESR2 Q92731 1/20 0.47
HSD17B10 Q99714 1/20 0.45
HTT P42858 1/20 0.44
HCAR3 P49019 1/20 0.44

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
SCHEMBL6880429 0.98 TDP1 (0.59) TDP1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30464299 0.85 TDP1 (0.58) TDP1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL999160 0.85 TDP1 (0.58) TDP1NPC1RAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL1000350 0.84 TDP1 (0.56) TDP1NPC1RAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL16621042 0.84 TDP1 (0.56) TDP1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9015187 0.83 CYP1A2 (0.53) TDP1NPC1RAB9AMEN1KMT2A
SCHEMBL2299003 0.81 CYP1A2 (0.52) MEN1KMT2ACYP1A2KDM4E
Lithium Ion SCHEMBL2224280 0.80 CYP1A2 (0.50) TDP1NPC1RAB9AMEN1KMT2A
SCHEMBL9102522 0.80 CYP1A2 (0.68) TDP1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9945611 0.79 KDM4E (0.51) TDP1MEN1KMT2ACYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 EP disclosed
US-8697703-B2 Piperazine derivatives for blocking Cav2.2 calcium channels Convergence Pharmaceuticals Limited (GB) 2014-04-15 US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 US disclosed
EP-2533782-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2012-12-19 EP disclosed
WO-2011086377-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-07-21 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 (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-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CACNA1B, CACNB2, CACNA1C TDP1 4506/4885NPC1 1879/4885RAB9A 2785/4885

“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.