SCHEMBL7946248

SCHEMBL7946248

Cc1ccc2[nH]c(-c3cccnc3)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.68
KDM4E B2RXH2 2/20 0.58
NPC1 O15118 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HSD17B10 Q99714 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
GFER P55789 1/20 0.58
MAP2K4 P45985 1/20 0.55
ITK Q08881 3/20 0.52
IDO1 P14902 1/20 0.52
CYP2A6 P11509 3/20 0.50
NPY5R Q15761 2/20 0.49
CLK2 P49760 1/20 0.48
CLK3 P49761 1/20 0.48
DYRK1A Q13627 1/20 0.48

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
SCHEMBL2789205 0.88 CYP19A1 (0.68) CYP19A1KDM4ENPC1ALDH1A1HPGD
Tert-Butyl Formate SCHEMBL28080870 0.87 CYP19A1 (0.52) CYP19A1KDM4ENPC1ALDH1A1HPGD
SCHEMBL21812408 0.84 CYP19A1 (0.71) CYP19A1KDM4ENPC1ALDH1A1HPGD
SCHEMBL31317820 0.84 CYP19A1 (0.71) CYP19A1KDM4ENPC1ALDH1A1HPGD
SCHEMBL1606072 0.83 CYP19A1 (0.65) CYP19A1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL7939806 0.82 CYP19A1 (0.68) CYP19A1KDM4ENPC1ALDH1A1HPGD
SCHEMBL1605652 0.82 CYP19A1 (0.68) CYP19A1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL1605882 0.82 CYP19A1 (0.68) CYP19A1KDM4ENPC1ALDH1A1HPGD
SCHEMBL1606556 0.82 CYP19A1 (0.68) CYP19A1MAPTITKIDO1CYP2A6
SCHEMBL1606084 0.81 NPC1 (0.69) CYP19A1KDM4ENPC1ALDH1A1HPGD

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 13 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
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-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
CN-105793249-B Piperidine derivatives for the treatment or prevention of psychiatric and neurological disorders 武田药品工业株式会社 2019-09-24 CN 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
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
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
CN-105793249-A Piperidine derivatives for the treatment or prevention of psychiatric and neurological disorders 武田药品工业株式会社 2016-07-20 CN 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
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
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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 (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 CYP19A1 1344/4885KDM4E 1727/4885NPC1 532/4885
US-10562882-B2 Piperidine derivatives for use in the treatment or prevention of psychiatric and neurological conditions GRIN2C, GRIN2A, PNMT CYP19A1 1344/4885KDM4E 1727/4885NPC1 532/4885

“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.