SCHEMBL3373138

SCHEMBL3373138

c1ccc(CN(Cc2ccccc2)C2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
G6PC1 P35575 1/20 0.51
YTHDC1 Q96MU7 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C9 P11712 3/20 0.49
HSD17B10 Q99714 3/20 0.49
TSHR P16473 1/20 0.49
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
SLC6A3 Q01959 1/20 0.47
SLC18A3 Q16572 1/20 0.47
AGER Q15109 3/20 0.46
GRIN2B Q13224 1/20 0.46
MTNR1A P48039 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL515999 0.98 G6PC1 (0.54) SLC6A2SLC6A4G6PC1YTHDC1MEN1
SCHEMBL28410816 0.98 G6PC1 (0.54) SLC6A2SLC6A4G6PC1YTHDC1MEN1
SCHEMBL7885548 0.98 G6PC1 (0.54) SLC6A2SLC6A4G6PC1YTHDC1MEN1
SCHEMBL13017781 0.98 SLC6A2 (0.53) SLC6A2SLC6A4G6PC1YTHDC1MEN1
SCHEMBL3376962 0.91 YTHDC1 (0.58) SLC6A2SLC6A4G6PC1YTHDC1MEN1
SCHEMBL3375958 0.88 GRIN2B (0.60) SLC6A2SLC6A4G6PC1MEN1KMT2A
SCHEMBL8812187 0.88 G6PC1 (0.46) SLC6A2SLC6A4G6PC1YTHDC1MEN1
SCHEMBL10708848 0.87 G6PC1 (0.49) SLC6A2SLC6A4G6PC1YTHDC1MEN1
SCHEMBL9455273 0.87 GRIN2B (0.58) SLC6A2SLC6A4G6PC1MEN1KMT2A
SCHEMBL4161792 0.85 KMT2A (0.52) SLC6A2SLC6A4G6PC1YTHDC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021087087-A1 N-CYCLOHEXYL-5-(THIAZOL-5-YL)-1H-INDOLE-7-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS CD38 INHIBITORS FOR INCREASING NAD+ AND FOR THE TREATMENT OF E.G. MUSCULAR DISORDERS MITOBRIDGE INC. (US) 2021-05-06 WO disclosed
US-9751877-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2017-09-05 US disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 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 (1 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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI SLC6A2 4641/4885SLC6A4 3594/4885G6PC1 1078/4885

“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.