SCHEMBL3617827

SCHEMBL3617827

O=C(OCc1ccccc1)C1CCC(F)(F)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 2/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 1/20 0.44
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
FKBP1A P62942 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL15457715 1.00 SLC6A2 (0.45) SLC6A2SLC6A3KMT2ATDP1SMN1; SMN2
SCHEMBL3623381 0.91 FABP7 (0.49) SLC6A2SLC6A3KMT2ATDP1SMN1; SMN2
SCHEMBL2209386 0.88 TDP1 (0.50) SLC6A2SLC6A3KMT2ATDP1SMN1; SMN2
SCHEMBL15111328 0.87 FKBP1A (0.44) SLC6A3TDP1SMN1; SMN2NPC1RAB9A
SCHEMBL15111327 0.87 FKBP1A (0.44) SLC6A3TDP1SMN1; SMN2NPC1RAB9A
SCHEMBL16577413 0.86 FABP7 (0.43) KMT2ATDP1SMN1; SMN2ALDH1A1FABP7
SCHEMBL6120052 0.84 SMN1; SMN2 (0.46) SLC6A2SLC6A3KMT2ATDP1SMN1; SMN2
SCHEMBL22674745 0.83 L3MBTL1 (0.47) SLC6A2SLC6A3KMT2ATDP1SMN1; SMN2
SCHEMBL850188 0.81 FABP7 (0.50) SLC6A2SLC6A3KMT2ATDP1SMN1; SMN2
SCHEMBL20656959 0.81 FABP7 (0.45) SMN1; SMN2NPC1RAB9ATSHRALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068785-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-06-26 EP disclosed
EP-3068785-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-06-26 EP disclosed
EP-3068785-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-21 EP disclosed
US-20160122358-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-05 US disclosed
US-20160122358-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-05 US disclosed
US-20160122358-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-05 US disclosed
US-9273058-B2 Substituted pyrazolo-piperazines as casein kinase 1 δ/ε inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-9273058-B2 Substituted pyrazolo-piperazines as casein kinase 1 δ/ε inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-9273058-B2 Substituted pyrazolo-piperazines as casein kinase 1 δ/ε inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
WO-2015073763-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 WO disclosed
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 US disclosed
US-8642622-B2 Piperidinyl compound as a modulator of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
EP-1893579-B1 1-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK SHARP & DOHME (US) 2013-05-01 EP disclosed
US-20120149733-A1 PIPERIDINYL COMPOUND AS A MODULATOR OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2012-06-14 US disclosed
US-20120149733-A1 PIPERIDINYL COMPOUND AS A MODULATOR OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2012-06-14 US disclosed
WO-2011159852-A1 PIPERIDINYL COMPOUND AS A MODULATOR OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-22 WO disclosed
US-7816380-B2 1-hydroxycycloalkanecarboxamide derivatives MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-20090062349-A1 1-Hydroxycycloalkanecarboxamide derivatives MERCK SHARP & DOHME LLC 2009-03-05 US disclosed
EP-1893579-A1 1-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Merck & Co., Inc. (US) 2008-03-05 EP disclosed
WO-2006132837-A1 l-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK & CO., INC. (US) 2006-12-14 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 (4 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-20160122358-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 SLC6A2 4873/4885SLC6A3 4703/4885KMT2A 1919/4885
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 SLC6A2 4873/4885SLC6A3 4703/4885KMT2A 1919/4885
US-20090062349-A1 1-Hydroxycycloalkanecarboxamide derivatives BDKRB1, BDKRB2, HRH4 SLC6A2 2882/4885SLC6A3 3011/4885KMT2A 1141/4885
US-20120149733-A1 PIPERIDINYL COMPOUND AS A MODULATOR OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCL11 SLC6A2 3829/4885SLC6A3 4050/4885KMT2A 4442/4885

“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.