SCHEMBL18330692

SCHEMBL18330692

CC(N)Cc1coc2cccc(F)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.38
TAAR1 Q96RJ0 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
MAOA P21397 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
HTR2B P41595 2/20 0.34
SOS2 Q07890 1/20 0.34
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1E P28566 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL5987081 0.76 SOS2 (0.41) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL18330847 0.76 SIGMAR1 (0.33) SLC6A4SIGMAR1HTR2AHTR2B
SCHEMBL2089808 0.75 FFAR1 (0.33) HTR2A
SCHEMBL29611417 0.73 CA2 (0.51) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL20912810 0.73 CA2 (0.51) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL10667646 0.73 CA2 (0.51) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL18330691 0.72 KDM4E (0.41)
SCHEMBL28897937 0.71 CA2 (0.46) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL8092360 0.71 SLC6A2 (0.47) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL14478267 0.70 TAAR1 (0.50) SLC6A2TAAR1SLC6A4SLC6A3MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385060-B2 Piperidine derivative and preparation method and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-08-20 US disclosed
US-20180170943-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-06-21 US disclosed
US-20180170943-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-06-21 US disclosed
EP-3312184-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2018-04-25 EP disclosed
WO-2016202161-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 2016-12-22 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-10385060-B2 Piperidine derivative and preparation method and pharmaceutical use thereof GPER1, CYP19A1, PGR SLC6A2 4508/4885TAAR1 889/4885SLC6A4 3706/4885
US-20180170943-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF GPER1, CYP19A1, PGR SLC6A2 4508/4885TAAR1 889/4885SLC6A4 3706/4885

“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.