SCHEMBL2338490

SCHEMBL2338490

COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CC(O)COc2ccc(F)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.72
DRD2 P14416 3/20 0.58
DRD3 P35462 3/20 0.58
DRD4 P21917 2/20 0.58
KCNH2 Q12809 3/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2D6 P10635 3/20 0.55
CYP2C9 P11712 2/20 0.55
USP2 O75604 1/20 0.55
HTR3E A5X5Y0 1/20 0.55
MLNR O43193 1/20 0.55
CACNA1F O60840 1/20 0.55
HTR3B O95264 1/20 0.55
HMGCR P04035 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
DRD1 P21728 1/20 0.55
TBXA2R P21731 1/20 0.55

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
SCHEMBL2332477 0.94 HTR4 (0.64) HTR4DRD2DRD3DRD4
SCHEMBL2337783 0.94 HTR4 (0.63) HTR4DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL3297631 0.93 HTR4 (0.62) HTR4DRD2DRD3DRD4
SCHEMBL2335274 0.93 HTR4 (0.62) HTR4DRD2DRD3DRD4
SCHEMBL2335699 0.92 HTR4 (0.63) HTR4DRD2DRD3DRD4
SCHEMBL2335638 0.92 DRD2 (0.67) HTR4DRD2DRD3DRD4
SCHEMBL2337314 0.92 HTR4 (0.60) HTR4DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL3298826 0.91 DRD2 (0.66) HTR4DRD2DRD3DRD4
SCHEMBL2336132 0.91 HTR4 (0.62) HTR4DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL3299654 0.91 HTR4 (0.59) HTR4DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593102-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2017-03-14 US claimed
US-20140135314-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-05-15 US claimed
US-8642772-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-02-04 US claimed
US-20190092727-A1 Piperidine Compounds, Pharmaceutical Composition Comprising The Same And Its Use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2019-03-28 US disclosed
US-10144709-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2018-12-04 US disclosed
US-20170275250-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK BIOPHARMACEUTICALS CO LTD (KR) 2017-09-28 US disclosed
US-9676718-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2017-06-13 US disclosed
US-9593102-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2017-03-14 US disclosed
US-20160362374-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK BIOPHARMACEUTICALS CO LTD (KR) 2016-12-15 US disclosed
CN-103980184-B Piperidine compounds, medical composition and its use containing this compound 爱思开生物制药株式会社 2016-08-24 CN disclosed
CN-105646331-A Piperidine compounds, pharmaceutical composition comprising the same and its use 爱思开生物制药株式会社 2016-06-08 CN disclosed
CN-102186840-B Piperidine compounds, pharmaceutical compositions containing the same and uses thereof SK BIOPHARMACEUTICALS CO LTD 2015-03-25 CN disclosed
US-20140135314-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-05-15 US disclosed
US-8642772-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-02-04 US disclosed
EP-2358702-B1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK BIOPHARMACEUTICALS CO LTD (KR) 2013-07-17 EP disclosed
CN-102186840-A Piperidine compounds, pharmaceutical compositions containing the same and uses thereof SK HOLDINGS CO LTD 2011-09-14 CN disclosed
EP-2358702-A2 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK Holdings Co., Ltd. (KR) 2011-08-24 EP disclosed
WO-2010044585-A2 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK HOLDINGS CO., LTD. (KR) 2010-04-22 WO disclosed
US-20100093801-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK HOLDINGS CO., LTD. (KR) 2010-04-15 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 (6 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-20170275250-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE PGC, VIP, PIGO HTR4 308/4885DRD2 126/4885DRD3 509/4885
US-10144709-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use PGC, VIP, PIGO HTR4 308/4885DRD2 126/4885DRD3 509/4885
US-20190092727-A1 Piperidine Compounds, Pharmaceutical Composition Comprising The Same And Its Use PGC, VIP, PIGO HTR4 308/4885DRD2 126/4885DRD3 509/4885
US-20160362374-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE PGC, VIP, PIGO HTR4 308/4885DRD2 126/4885DRD3 509/4885
US-20100093801-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE PGC, VIP, PIGO HTR4 308/4885DRD2 126/4885DRD3 509/4885
US-20140135314-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE PGC, VIP, PIGO HTR4 308/4885DRD2 126/4885DRD3 509/4885

“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.