SCHEMBL7121893

SCHEMBL7121893

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2nnc(Cl)s2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.38
CHRNA7 P36544 2/20 0.38
TRPV1 Q8NER1 1/20 0.34
HTR3E A5X5Y0 2/20 0.34
HTR3B O95264 2/20 0.34
HTR3A P46098 2/20 0.34
HTR3D Q70Z44 2/20 0.34
HTR3C Q8WXA8 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
EZH2 Q15910 1/20 0.34
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A2 P23975 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
F10 P00742 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL7115039 0.88 HDAC6 (0.38) HDAC6CHRNA7EZH2SLC6A4SLC6A3
SCHEMBL7123508 0.87 TRPV1 (0.44) CHRNA7TRPV1HTR3EHTR3BHTR3A
SCHEMBL7123272 0.87 HDAC6 (0.38) HDAC6CHRNA7HTR3EHTR3BHTR3A
SCHEMBL7122440 0.86 HDAC6 (0.37) HDAC6CHRNA7HTR3EHTR3BHTR3A
SCHEMBL7232374 0.86 SLC6A4 (0.38) HDAC6ALOX15SLC6A4SLC6A3SLC6A2
SCHEMBL7127585 0.85 HDAC6 (0.36) HDAC6CHRNA7EZH2SLC6A4SLC6A3
SCHEMBL7121247 0.85 SLC6A2 (0.37) HDAC6CHRNA7HTR3EHTR3BHTR3A
SCHEMBL7124937 0.85 HDAC6 (0.39) HDAC6CHRNA7MEN1KMT2AF10
SCHEMBL7126926 0.84 KMT2A (0.39) HDAC6MEN1KMT2ANPC1RAB9A
SCHEMBL7122527 0.84 CHRNA7 (0.35) CHRNA7TRPV1HTR3EHTR3BHTR3A

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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 HDAC6 760/4885CHRNA7 397/4885TRPV1 4850/4885

“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.