SCHEMBL16760180

SCHEMBL16760180

Cc1c(C2CCCNC2)[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.57
HTR2C P28335 3/20 0.57
KCNH2 Q12809 3/20 0.57
PROKR1 Q8TCW9 2/20 0.43
AHR P35869 1/20 0.42
MAOA P21397 1/20 0.41
CCNT1 O60563 1/20 0.41
CCNK O75909 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
CCNH P51946 1/20 0.41
MNAT1 P51948 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
DRD2 P14416 2/20 0.40
BRD3 Q15059 1/20 0.39
DRD3 P35462 1/20 0.38
PARP1 P09874 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
SCHEMBL7898453 1.00 HTR2A (0.57) HTR2AHTR2CKCNH2PROKR1AHR
SCHEMBL10067383 0.84 AHR (0.50) PROKR1AHRBRD3
SCHEMBL10067382 0.83 AHR (0.48) PROKR1AHRBRD3
SCHEMBL18503045 0.79 HTR2A (0.72) HTR2AHTR2CKCNH2AHRCCNT1
SCHEMBL2789206 0.79 HTR2A (0.53) HTR2AHTR2CKCNH2CCNT1CCNK
SCHEMBL7897980 0.79 HTR6 (0.46) HTR2AHTR2CPARP1
SCHEMBL7904064 0.78 HTR2A (0.40) HTR2AHTR2CKCNH2CCNT1CCNK
SCHEMBL26837562 0.77 HTR2A (0.51) HTR2AHTR2CKCNH2MAOADRD2
SCHEMBL10516888 0.75 HTR2A (0.52) HTR2AHTR2CKCNH2PARP1
SCHEMBL2790573 0.72 EGFR (0.54) HTR2AHTR2CKCNH2BRD3PARP1

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 11 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
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
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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 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 HTR2A 60/4885HTR2C 65/4885KCNH2 341/4885
US-10562882-B2 Piperidine derivatives for use in the treatment or prevention of psychiatric and neurological conditions GRIN2C, GRIN2A, PNMT HTR2A 60/4885HTR2C 65/4885KCNH2 341/4885

“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.