SCHEMBL5453495

SCHEMBL5453495

Fc1ccc2[nH]cc(C3CCNC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.56
HTR2A P28223 3/20 0.56
HTR1A P08908 1/20 0.56
DRD1 P21728 1/20 0.56
SLC6A2 P23975 1/20 0.56
HTR1B P28222 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HTR2C P28335 3/20 0.55
HTR2B P41595 1/20 0.55
OPRM1 P35372 2/20 0.52
OPRK1 P41145 2/20 0.52
OPRL1 P41146 2/20 0.52
ADRB2 P07550 1/20 0.51
APP P05067 1/20 0.51
NMT2 O60551 1/20 0.51
NMT1 P30419 1/20 0.51

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
Oxalic Acid SCHEMBL8296773 0.92 NMT2 (0.53) SLC6A4HTR2AHTR1ADRD1SLC6A2
SCHEMBL2781869 0.92 SLC6A4 (0.56) SLC6A4HTR2AHTR1ADRD1SLC6A2
SCHEMBL2781509 0.91 HTR2C (0.62) SLC6A4HTR2AHTR1ADRD1SLC6A2
SCHEMBL5097759 0.88 HTR2A (0.69) SLC6A4HTR2AHTR1AHTR2COPRM1
SCHEMBL5097763 0.88 HTR2A (0.69) SLC6A4HTR2AHTR1AHTR2COPRM1
SCHEMBL31295107 0.88 HTR2A (0.69) SLC6A4HTR2AHTR1AHTR2COPRM1
Lithium Ion SCHEMBL31530810 0.86 HTR2A (0.66) SLC6A4HTR2AHTR1AHTR2COPRM1
SCHEMBL31328282 0.82 SLC6A4 (0.56) SLC6A4HTR2AHTR1AHTR2COPRM1
SCHEMBL1445394 0.82 GABRP (0.54) SLC6A4HTR2AHTR1ADRD1SLC6A2
SCHEMBL1720378 0.82 HTR2A (0.48) SLC6A4HTR2AHTR1ADRD1SLC6A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
US-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 US disclosed
US-20070225269-A1 Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides SYNGENTA CROP PROTECTION, INC. 2007-09-27 US disclosed
CN-1223650-A Piperidines and pyrrolidines MERCK PATENT GMBH (DE) 1999-07-21 CN disclosed
EP-0898569-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GmbH (DE) 1999-03-03 EP disclosed
WO-1997040038-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GMBH (DE) 1997-10-30 WO 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 (3 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-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC SLC6A4 4841/4885HTR2A 4035/4885HTR1A 4069/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC SLC6A4 4841/4885HTR2A 4035/4885HTR1A 4069/4885
US-20070225269-A1 Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides CHRM1, NPY1R, MRM1 SLC6A4 4269/4885HTR2A 2149/4885HTR1A 206/4885

“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.