SCHEMBL5268078

SCHEMBL5268078

Cc1ccc(C(C)NCc2ccccc2-c2ccccc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.40
HTR7 P34969 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ADRB2 P07550 1/20 0.38
TACR1 P25103 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
MAPT P10636 1/20 0.36
CD274 Q9NZQ7 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5269453 0.81 ADRB2 (0.54) ALDH1A1SMN1; SMN2ADRB2NPSR1
SCHEMBL9249660 0.79 KMT2A (0.44) HTR7SMN1; SMN2CA12CA1CA2
SCHEMBL5270667 0.78 CASR (0.46) ALDH1A1SMN1; SMN2ADRB2
SCHEMBL5270005 0.78 GAA (0.56) KDM4EALDH1A1MAPT
SCHEMBL5267478 0.78 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2ADRB2
SCHEMBL5265401 0.77 L3MBTL1 (0.52) HTR7KDM4EALDH1A1MAPTNPSR1
SCHEMBL5272030 0.77 TACR1 (0.39) ALDH1A1TACR1TAS1R3TAS1R1MAPT
SCHEMBL5267946 0.77 TACR1 (0.36) SCN8AADRB2TACR1TAS1R3TAS1R1
SCHEMBL5267686 0.77 LMNA (0.45) SCN8AHTR7ALDH1A1SMN1; SMN2ADRB2
SCHEMBL5272756 0.77 MEN1 (0.44) CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074539-B1 Process for producing optically active 3,3,3,-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL CO (JP) 2007-10-17 EP disclosed
EP-1761493-A2 ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-03-14 EP disclosed
WO-2005123679-A2 ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2005-12-29 WO disclosed
US-6894190-B2 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed
US-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2003-12-18 US disclosed
US-6653507-B2 Useful intermediate compound of pharmaceuticals for urinary incontinence SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-11-25 US disclosed
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2002-10-03 US disclosed
US-6403832-B1 MIXING ACID WITH AMINE, PRECIPITATING SALT, AND FILTERING; GOOD OPTICAL PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-11 US disclosed
EP-1074539-A2 Process for producing optically active 3,3,3,-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-07 EP 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-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, CYP8B1, CYP11B2 SCN8A 1638/4885HTR7 56/4885KDM4E 3102/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 SCN8A 732/4885HTR7 230/4885KDM4E 2234/4885

“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.