SCHEMBL7122359

SCHEMBL7122359

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2cc(C(F)(F)F)ccn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.39
CCR2 P41597 8/20 0.38
CCR3 P51677 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL7114448 0.87 KDR (0.41) MGLLHCRTR1
SCHEMBL7120325 0.85 GRM5 (0.39) TAS1R3TAS1R1TAS1R2
SCHEMBL7121700 0.85 GRM5 (0.37) TAS1R3TAS1R1TAS1R2
SCHEMBL7127392 0.85 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2
SCHEMBL7121223 0.84 CHRNA7 (0.36) CCR2TAS1R3TAS1R1TAS1R2
SCHEMBL7127598 0.83 EPHX2 (0.39)
SCHEMBL7114457 0.83 HPGDS (0.36)
SCHEMBL7124224 0.83 CCR2 (0.37) MGLLCCR2CCR3TAS1R3TAS1R1
SCHEMBL7126672 0.82 CHRNA7 (0.35) TAS1R3TAS1R1TAS1R2
SCHEMBL7123917 0.82 HDAC4 (0.39) CCR2

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 MGLL 4874/4885CCR2 48/4885CCR3 207/4885

“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.