SCHEMBL230404

SCHEMBL230404

COc1ccc(N2CCC(C=O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
ADRB1 P08588 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
SLC18A3 Q16572 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
DRD2 P14416 1/20 0.47
RAB9A P51151 1/20 0.47
GFER P55789 1/20 0.47
AKR1C3 P42330 1/20 0.47
GAA P10253 2/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL9499780 0.80 ALDH1A1 (0.52) L3MBTL1LMNAMAPTRAB9APOLB
Hydrochloric Acid SCHEMBL2366337 0.79 ADRB1 (0.47) ADRB1L3MBTL1SMN1; SMN2LMNAKMT2A
SCHEMBL4940215 0.79 TRIM24 (0.66) L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL13035732 0.79 POLB (0.60) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL7134528 0.78 ALDH1A1 (0.58) SMN1; SMN2TSHRKMT2AMAPTRAB9A
Hydrochloric Acid SCHEMBL9503509 0.78 ALDH1A1 (0.51) L3MBTL1LMNAMAPTRAB9APOLB
SCHEMBL28599511 0.78 HTR3E (0.73) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL29656856 0.78 HTR3E (0.73) HTR3EHTR3BADRB1HTR3AHTR3D
Ammonia Solution, Strong SCHEMBL8123114 0.77 POLB (0.59) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL1814706 0.77 NOTUM (0.50) SMN1; SMN2LMNATSHRMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46942-E1 4-piperidinyl compounds for use as tankyrase inhibitors NOVARTIS AG (CH) 2018-07-10 US disclosed
US-8415350-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-01-05 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-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR2C HTR3E 12/4885HTR3B 5/4885ADRB1 238/4885

“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.