SCHEMBL7124966

SCHEMBL7124966

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 2/20 0.46
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
TRPV1 Q8NER1 1/20 0.44
MMP7 P09237 1/20 0.44
MMP13 P45452 1/20 0.44
CHRNA7 P36544 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
MMP1 P03956 1/20 0.42
SLC6A2 P23975 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GRM5 P41594 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
SCHEMBL7124896 0.89 MMP2 (0.57) MMP2MMP9MMP7MMP13HTR3E
SCHEMBL7120658 0.89 MMP2 (0.45) MMP2MMP9MMP7MMP13TSHR
SCHEMBL7127654 0.89 GRM5 (0.47) SLC6A4SLC6A3MMP2MMP9TRPV1
SCHEMBL7121935 0.88 PARP10 (0.46) MMP2MMP9MMP7MMP13KMT2A
SCHEMBL7116944 0.88 HPGD (0.46) MMP2MMP9MMP7MMP13HTR3E
SCHEMBL7124170 0.88 MMP2 (0.44) MMP2MMP9MMP7MMP13TSHR
SCHEMBL7121780 0.88 SLC6A3 (0.46) SLC6A3MMP2MMP9MMP7MMP13
SCHEMBL7127599 0.88 NAAA (0.49) MMP2MMP9MMP7MMP13GRM5
SCHEMBL7121872 0.88 KCNQ3 (0.46) MMP2MMP9MMP7MMP13CHRNA7
SCHEMBL7125155 0.87 POLB (0.41) SLC6A4SLC6A3MMP2MMP9TRPV1

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 SLC6A4 2137/4885SLC6A3 2265/4885MMP2 3731/4885

“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.