SCHEMBL7124402

SCHEMBL7124402

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ccc(Cl)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.40
KDR P35968 1/20 0.40
TRPV1 Q8NER1 1/20 0.37
CHRNA7 P36544 5/20 0.37
TSHR P16473 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
ALOX15 P16050 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
CHEK2 O96017 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRNB2 P17787 5/20 0.34
CHRNA4 P43681 5/20 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
SCHEMBL7115118 0.89 CHEK2 (0.36) BRAFKDRCHRNA7SLC6A4SLC6A3
SCHEMBL7113610 0.89 BRAF (0.37) BRAFKDRCHRNA7SLC6A4SLC6A3
SCHEMBL7123508 0.88 TRPV1 (0.44) TRPV1CHRNA7TSHRHTR3EHTR3B
SCHEMBL7114448 0.87 KDR (0.41) BRAFKDRDDB1CRBNKMT2A
SCHEMBL7125022 0.86 EPHX2 (0.42) CHRNA7CHRNB2CHRNA4ALDH1A1RAB9A
SCHEMBL7122459 0.86 SLC6A2 (0.37) BRAFSLC6A4SLC6A3
SCHEMBL7121700 0.86 GRM5 (0.37) TRPV1CHRNA7TSHRHTR3EHTR3B
SCHEMBL7124938 0.85 CHRNB2 (0.43) CHRNA7MEN1KMT2ACHRNB2CHRNA4
SCHEMBL7127357 0.83 SMYD3 (0.41) TRPV1CHRNA7TSHRHTR3EHTR3B
SCHEMBL7116968 0.82 CHRNA7 (0.38) TRPV1CHRNA7TSHRHTR3EHTR3B

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 BRAF 3842/4885KDR 2299/4885TRPV1 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.