SCHEMBL16699888

SCHEMBL16699888

COc1ccc([C@H]2C[C@H](C(=O)O)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.51
KDM1A O60341 2/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
GAA P10253 2/20 0.49
EDNRA P25101 2/20 0.49
EDNRB P24530 1/20 0.49
AKR1C3 P42330 1/20 0.47
AKR1C1 Q04828 1/20 0.47
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
GRIN2B Q13224 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2725346 1.00 NAAA (0.51) NAAAKDM1AMAOAMAOBGAA
SCHEMBL16708937 1.00 NAAA (0.51) NAAAKDM1AMAOAMAOBGAA
SCHEMBL31154321 0.88 AKR1C3 (0.65) NAAAKDM1AMAOAMAOBGAA
SCHEMBL31154367 0.88 AKR1C3 (0.65) NAAAKDM1AMAOAMAOBGAA
SCHEMBL10233708 0.84 CHRNB2 (0.44) NAAAKDM1AMAOAMAOBGAA
SCHEMBL2722626 0.84 NAAA (0.53) NAAAKDM1AMAOAMAOBGRIN2B
SCHEMBL2722341 0.84 NAAA (0.53) NAAAKDM1AMAOAMAOBGRIN2B
SCHEMBL2722339 0.84 NAAA (0.53) NAAAKDM1AMAOAMAOBGRIN2B
SCHEMBL2723977 0.84 NPC1 (0.60) KDM1AMAOAMAOBGAAEDNRA
Hydrochloric Acid SCHEMBL641534 0.83 KDM1A (0.44) NAAAKDM1AMAOAMAOBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 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 (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-20160122358-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 NAAA 3637/4885KDM1A 590/4885MAOA 3762/4885
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 NAAA 3637/4885KDM1A 590/4885MAOA 3762/4885

“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.