SCHEMBL6357644

SCHEMBL6357644

OC1(c2nnnn2Cc2ccccc2)CCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
LMNA P02545 3/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
P2RX7 Q99572 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.40
OPRL1 P41146 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4821664 0.76 PSEN1 (0.55) ALDH1A1LMNAP2RX7HRH3KMT2A
SCHEMBL4184068 0.71 HRH3 (0.48) ALDH1A1LMNAHRH3KMT2ATSHR
SCHEMBL4193498 0.70 HRH3 (0.52) ALDH1A1HRH3KMT2ATSHRPOLB
SCHEMBL4186877 0.70 HRH3 (0.49) ALDH1A1LMNAHRH3KMT2ATSHR
SCHEMBL27333607 0.70 LMNA (0.57) ALDH1A1LMNAP2RX7KMT2ATSHR
Hydrochloric Acid SCHEMBL28709070 0.69 LMNA (0.43) ALDH1A1LMNAP2RX7HRH3KMT2A
SCHEMBL31010281 0.68 ALDH1A1 (0.67) ALDH1A1LMNAHRH3KMT2ATSHR
SCHEMBL2163180 0.68 LMNA (0.59) ALDH1A1LMNAP2RX7KMT2ATSHR
SCHEMBL4408444 0.68 LMNA (0.59) ALDH1A1LMNAP2RX7KMT2ATSHR
SCHEMBL96820 0.67 ALDH1A1 (0.57) ALDH1A1LMNAP2RX7KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US claimed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP claimed
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US disclosed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP 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-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists TFAM, CYP11B2, CYP11B1 ALDH1A1 1194/4885LMNA 1197/4885CNR1 248/4885

“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.