SCHEMBL5341823

SCHEMBL5341823

Cc1ccccc1CC(=N)NC#N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.39
NPC1 O15118 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.36
CHRM2 P08172 1/20 0.35
SHBG P04278 1/20 0.35
MAPK8 P45983 1/20 0.35
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL2824287 0.79 NPC1 (0.49) CTBP2NPC1HPGDALDH1A1MEN1
SCHEMBL2824288 0.79 NPC1 (0.49) CTBP2NPC1HPGDALDH1A1MEN1
SCHEMBL5259490 0.78 CTBP2 (0.43) CTBP2NPC1TAAR1HPGDALDH1A1
SCHEMBL5343945 0.78 P2RX7 (0.36) MAPTKDM4E
SCHEMBL4917129 0.74 CYP1A2 (0.42) ALDH1A1MEN1KMT2ALMNA
SCHEMBL23712598 0.71 CTBP2 (0.47) CTBP2NPC1TAAR1HPGDALDH1A1
SCHEMBL5792021 0.70 TAAR1 (0.48) CTBP2NPC1TAAR1HPGDALDH1A1
SCHEMBL5342931 0.69 HPGD (0.38) NPC1HPGDALDH1A1TSHR
Hydrochloric Acid SCHEMBL216730 0.68 TAAR1 (0.47) CTBP2NPC1TAAR1HPGDALDH1A1
Acetonitrile SCHEMBL29126085 0.68 CTBP2 (0.53) CTBP2HPGDALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain CARROLL WILLIAM A 2007-10-04 US disclosed
US-7241776-B2 Cyanoamidine P2X7 antagonists for the treatment of pain ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
US-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain ABBVIE INC. 2006-02-02 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-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain P2RX2, P2RX1, P2RX7 CTBP2 1947/4885NPC1 3161/4885TAAR1 198/4885
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain P2RX2, P2RX1, P2RX7 CTBP2 1947/4885NPC1 3161/4885TAAR1 198/4885

“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.