SCHEMBL633666

SCHEMBL633666

O=C1CCC(N2C(=O)c3cscc3C2=O)CN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 13/20 0.40
▸ DDB1 Q16531 8/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ IKZF3 Q9UKT9 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 1/20 0.33
▸ TNF P01375 1/20 0.31
▸ IL1B P01584 1/20 0.31
▸ TBXA2R P21731 1/20 0.31
▸ IKZF1 Q13422 1/20 0.31

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
SCHEMBL845412 0.82 CRBN (0.55) CRBNDDB1ALDH1A1IKZF3CHRM2
SCHEMBL633003 0.78 CRBN (0.55) CRBNHTR2B
SCHEMBL633723 0.78 CRBN (0.55) CRBNHTR2B
SCHEMBL632863 0.78 CRBN (0.55) CRBNHTR2B
SCHEMBL27221698 0.77 CRBN (0.40) CRBNDDB1ALDH1A1IKZF3CHRM2
SCHEMBL24309093 0.75 CRBN (0.60) CRBNDDB1ALDH1A1IKZF3CHRM2
SCHEMBL21026166 0.75 CRBN (0.60) CRBNDDB1ALDH1A1IKZF3CHRM2
SCHEMBL9988975 0.75 CRBN (0.60) CRBNDDB1ALDH1A1IKZF3CHRM2
SCHEMBL9989430 0.74 TMEM97 (0.64) CRBNDDB1ALDH1A1IKZF3CHRM2
SCHEMBL9989426 0.74 TMEM97 (0.64) CRBNDDB1ALDH1A1IKZF3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2093228-B1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2012-02-22 — — EP disclosed
US-20100152240-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-06-17 — — 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 (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-20100152240-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, CYC1 CRBN 2750/4885DDB1 1368/4885ALDH1A1 624/4885

“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.

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