SCHEMBL779699

SCHEMBL779699

CON(C)C(=O)C1CCCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
XBP1 P17861 1/20 0.48
RAB9A P51151 1/20 0.46
PIN1 Q13526 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 1/20 0.44
IDO1 P14902 1/20 0.42

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
SCHEMBL25642144 0.91 PIN1 (0.55) ALDH1A1HTTXBP1RAB9APIN1
SCHEMBL30074646 0.91 PIN1 (0.55) ALDH1A1HTTXBP1RAB9APIN1
SCHEMBL31613080 0.85 ALDH1A1 (0.52) ALDH1A1HTTXBP1RAB9APIN1
SCHEMBL9522314 0.81 C5AR1 (0.46) KMT2AMEN1
SCHEMBL10468632 0.79 ALDH1A1 (0.45) ALDH1A1HTTXBP1RAB9APIN1
SCHEMBL17615821 0.79 ALDH1A1 (0.51) ALDH1A1HTTXBP1PIN1KMT2A
SCHEMBL769134 0.79 KMT2A (0.51) ALDH1A1HTTPIN1KMT2AMEN1
SCHEMBL29484101 0.79 KMT2A (0.51) ALDH1A1HTTPIN1KMT2AMEN1
SCHEMBL10469822 0.79 ALDH1A1 (0.50) ALDH1A1HTTXBP1RAB9APTGDR2
SCHEMBL31262315 0.77 HTT (0.49) ALDH1A1HTTXBP1RAB9APIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936471-B Non-fused thiophene derivatives and uses thereof 埃尼奥制药公司 2024-10-29 CN disclosed
US-11767316-B2 Non-fused thiophene derivatives and their uses ENYO PHARMA (FR) 2023-09-26 US disclosed
US-20210040059-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES Institut National de la Santé et de la Recherche Médicale (FR) 2021-02-11 US disclosed
CN-111936471-A Non-fused thiophene derivative and use thereof 埃尼奥制药公司 2020-11-13 CN disclosed
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 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 (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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES CRY1, PER2, GPR119 ALDH1A1 1716/4885HTT 442/4885XBP1 1565/4885
US-20210040059-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH ALDH1A1 1977/4885HTT 701/4885XBP1 839/4885
US-11767316-B2 Non-fused thiophene derivatives and their uses FTH1, SLC40A1, FECH ALDH1A1 1977/4885HTT 701/4885XBP1 839/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 ALDH1A1 1541/4885HTT 477/4885XBP1 1625/4885

“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.