SCHEMBL15939629

SCHEMBL15939629

C#CCOc1ccc(F)[c]c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
HTR2A P28223 1/20 0.35
MAOB P27338 5/20 0.34
MAOA P21397 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 1/20 0.33
GSTP1 P09211 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL22547 0.81 ALOX5AP (0.33)
SCHEMBL15939521 0.74 GSTP1 (0.35) POLBMAPK1HSD17B10GSTP1CA12
SCHEMBL919891 0.73 MAPT (0.41) HPGDTSHRLMNAMAPTHTR2C
SCHEMBL2454549 0.70 NPC1 (0.34) MAPTMAOBMAOAPOLBMAPK1
SCHEMBL16395352 0.70 GSTP1 (0.46) TSHRMAOBMAOAGSTP1CA12
SCHEMBL14784588 0.70 HTR2C (0.42) HPGDTSHRMAPTHTR2CHTR2B
SCHEMBL16394897 0.69 MAPT (0.34) HPGDTSHRLMNAMAPTHTR2C
Hydrochloric Acid SCHEMBL21694039 0.69 MAPT (0.55) HPGDTSHRMAPTMAOBMAOA
SCHEMBL1477316 0.68 MAOB (0.41) HPGDTSHRLMNAMAPTMAOB
SCHEMBL1068238 0.67 CA2 (0.37) LMNAMAPTHTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004232-B2 Piperidine pyrazoles as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-06-26 US claimed
US-9975889-B2 Heteroaryl piperidine and heteroaryl piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-22 US claimed
EP-2755971-B1 PIPERIDINE PYRAZOLES AS FUNGICIDES BAYER IP GMBH (DE) 2017-12-20 EP claimed
US-20170044154-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-16 US claimed
US-20170044153-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH 2017-02-16 US claimed
US-20140228404-A1 PIPERIDINE PYRAZOLES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 US claimed
US-10426169-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-10-01 US disclosed
US-10004232-B2 Piperidine pyrazoles as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-06-26 US disclosed
US-20180103641-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-19 US disclosed
EP-2755971-B1 PIPERIDINE PYRAZOLES AS FUNGICIDES BAYER IP GMBH (DE) 2017-12-20 EP disclosed
US-20160200720-A1 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-14 US disclosed
US-9375009-B2 Heteroarylpiperidine and piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-20150024935-A1 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-22 US disclosed
US-20140228404-A1 PIPERIDINE PYRAZOLES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 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 (8 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-20170044154-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES PRXL2A, CYP1A1, CAT HPGD 1872/4885TSHR 3091/4885LMNA 2351/4885
US-20160200720-A1 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES RB1, RBX1, RRP12 HPGD 3059/4885TSHR 2366/4885LMNA 3567/4885
US-20170044153-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES PRXL2A, CYP1A1, CAT HPGD 1872/4885TSHR 3091/4885LMNA 2351/4885
US-10426169-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides RB1, RBX1, RRP12 HPGD 3001/4885TSHR 2139/4885LMNA 3561/4885
US-20180103641-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES RB1, RBX1, RRP12 HPGD 3001/4885TSHR 2139/4885LMNA 3561/4885
US-10004232-B2 Piperidine pyrazoles as fungicides CAT, PIR, CYP51A1 HPGD 1172/4885TSHR 3867/4885LMNA 4475/4885
US-20150024935-A1 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES RB1, RBX1, RRP12 HPGD 3059/4885TSHR 2366/4885LMNA 3567/4885
US-20140228404-A1 PIPERIDINE PYRAZOLES AS FUNGICIDES CAT, PIR, PIK3C3 HPGD 1489/4885TSHR 3910/4885LMNA 4538/4885

“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.