SCHEMBL21138876

SCHEMBL21138876

O=C(Cl)N1CCCC2(CCCC2)C1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.55
SPR P35270 3/20 0.43
HSD11B1 P28845 6/20 0.41
USP2 O75604 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.37

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
SCHEMBL19917001 0.96 GRM5 (0.50) GRM5SPRHSD11B1USP2CYP3A4
SCHEMBL22032412 0.80 GRM5 (0.56) GRM5SPRHSD11B1USP2CYP3A4
SCHEMBL31418213 0.79 SPR (0.39) GRM5SPRHSD11B1CYP3A4CYP1A2
SCHEMBL21223637 0.78 GRM5 (0.55) GRM5SPRHSD11B1USP2CYP3A4
SCHEMBL4072598 0.78 GRM5 (0.59) GRM5SPRHSD11B1USP2CYP3A4
SCHEMBL9955820 0.78 ALDH1A1 (0.43) GRM5SPRUSP2CYP3A4CYP1A2
SCHEMBL8905402 0.78 GRM5 (0.50) GRM5SPRHSD11B1CYP3A4CYP2D6
SCHEMBL346850 0.77 CYP1A2 (0.42) GRM5SPRHSD11B1USP2CYP1A2
SCHEMBL20612530 0.77 ALDH1A1 (0.39) GRM5SPRHSD11B1ALDH1A1CYP2C9
SCHEMBL12335229 0.77 GRM5 (0.58) GRM5USP2CYP3A4CYP1A2CYP2D6

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
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A GRM5 2912/4885SPR 1448/4885HSD11B1 478/4885

“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.