SCHEMBL18940539

SCHEMBL18940539

Cc1ccc2c(c1)cc(-c1cccnc1)n2C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP3A4 P08684 2/20 0.41
F2 P00734 1/20 0.41
MAPT P10636 1/20 0.41
KLK7 P49862 1/20 0.41
KMT2A Q03164 1/20 0.41
KLK14 Q9P0G3 1/20 0.41
KLK5 Q9Y337 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
SCHEMBL18940545 0.85 ACLY (0.52) CYP11B1CYP11B2CYP3A4F2MAPT
SCHEMBL27830572 0.85 ACLY (0.47) CYP11B1CYP11B2F2MAPTKMT2A
SCHEMBL16760212 0.83 NR1H2 (0.52)
SCHEMBL7947787 0.80 CYP2A6 (0.49) CYP2A6MAOAMAOBCYP11B1CYP11B2
SCHEMBL16760311 0.76 CYP11B1 (0.49) CYP2A6MAOAMAOBCYP11B1CYP11B2
SCHEMBL9555552 0.75 ACLY (0.47) MAOAMAOBKMT2AKDM4EALDH1A1
SCHEMBL1605154 0.74 ELANE (0.47) CYP11B1CYP11B2F2MAPTKMT2A
SCHEMBL1605932 0.73 CYP11B2 (0.46) CYP11B1CYP11B2F2MAPTKLK7
SCHEMBL28981312 0.71 KDR (0.42) MAOAMAOBKMT2AKDM4EALDH1A1
SCHEMBL16760261 0.71 TTK (0.51) CYP3A4

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
EP-3074385-B1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF PSYCHIATRIC AND NEUROLOGICAL CONDITIONS TAKEDA PHARMACEUTICALS CO (JP) 2021-12-22 EP disclosed
US-10562882-B2 Piperidine derivatives for use in the treatment or prevention of psychiatric and neurological conditions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-18 US disclosed
US-20170166553-A1 Piperidine Derivatives for Use in the Treatment or Prevention of Psychiatric and Neurological Conditions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-15 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 (2 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-20170166553-A1 Piperidine Derivatives for Use in the Treatment or Prevention of Psychiatric and Neurological Conditions GRIN2C, GRIN2A, PNMT CYP2A6 470/4885MAOA 105/4885MAOB 66/4885
US-10562882-B2 Piperidine derivatives for use in the treatment or prevention of psychiatric and neurological conditions GRIN2C, GRIN2A, PNMT CYP2A6 470/4885MAOA 105/4885MAOB 66/4885

“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.