SCHEMBL7309866

SCHEMBL7309866

CC(C)c1cccc2[nH][c]nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.38
LMNA P02545 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRB2 P47870 2/20 0.38
TSHR P16473 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
HTR2B P41595 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL407499 0.75 PSMD14 (0.36)
SCHEMBL16097482 0.72 IDO1 (0.42)
SCHEMBL1886180 0.71 PSMB8 (0.41) LMNACYP1A2
SCHEMBL1264261 0.71 TDP1 (0.40) TSHRCYP3A4HPGDHIF1AALDH1A1
SCHEMBL4623912 0.71 METAP2 (0.35) LMNATSHRCYP1A2CYP3A4HIF1A
SCHEMBL558260 0.71 PARP1 (0.34) LMNAHPGDALDH1A1
SCHEMBL811368 0.71 NOS1 (0.38)
SCHEMBL27923264 0.71 NOS1 (0.38)
SCHEMBL557929 0.70 KEAP1 (0.44) LMNACA1CA2CYP3A4HPGD
SCHEMBL1888862 0.70 AXL (0.43) HPGDTRPV1TAAR1ALDH1A1

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
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
EP-3074385-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF PSYCHIATRIC AND NEUROLOGICAL CONDITIONS Takeda Pharmaceutical Company Limited (JP) 2016-10-05 EP disclosed
WO-2015079224-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF PSYCHIATRIC AND NEUROLOGICAL CONDITIONS TAKEDA CAMBRIDGE LIMITED (GB) 2015-06-04 WO disclosed
EP-0502314-B1 Benzimidazol derivatives, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1998-05-20 EP 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 GABRA1 98/4885LMNA 1851/4885GABRG2 252/4885
US-10562882-B2 Piperidine derivatives for use in the treatment or prevention of psychiatric and neurological conditions GRIN2C, GRIN2A, PNMT GABRA1 98/4885LMNA 1851/4885GABRG2 252/4885

“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.