SCHEMBL4529037

SCHEMBL4529037

CC(C)Cn1ccc(C#N)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL15096488 0.79
SCHEMBL2186034 0.79
SCHEMBL23118092 0.75 GABRD (0.34) SLC6A2SLC6A4SLC6A3GABRDGABRA1
SCHEMBL23118091 0.75 GABRD (0.34) SLC6A2SLC6A4SLC6A3GABRDGABRA1
SCHEMBL4530377 0.74 AR (0.34) SLC6A2SLC6A4SLC6A3GABRDGABRA1
SCHEMBL28420437 0.73 GAA (0.36) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL28420438 0.73 GAA (0.36) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL5569537 0.73 MGAT2 (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL6972157 0.72 GAA (0.38) ALDH1A1KDM4EMAPTTHRB
SCHEMBL31283271 0.72 AR (0.36) SLC6A2SLC6A4SLC6A3GABRDGABRA1

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-20230322847-A1 NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. 2023-10-12 US disclosed
WO-2021068820-A1 ALKENE-CONTAINING CARBOXYLATE COMPOUND AND USE THEREOF 沈阳中化农药化工研发有限公司 2021-04-15 WO disclosed
US-20090075980-A1 Pyrazolopyridines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-19 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-20090075980-A1 Pyrazolopyridines and Analogs Thereof IL4, IL4I1, IL2 RPS6KB1 3150/4885HRH3 386/4885SLC6A2 2080/4885
US-20230322847-A1 NEUROACTIVE STEROIDS AND THEIR METHODS OF USE NR3C2, MC2R, NR3C1 RPS6KB1 709/4885HRH3 573/4885SLC6A2 95/4885

“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.