SCHEMBL13680853

SCHEMBL13680853

Cn1cccc1CCC=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
TAAR1 Q96RJ0 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
HSD11B1 P28845 2/20 0.39
TSHR P16473 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL15453240 0.92 TRIM24 (0.44) TRIM24TRIM33CYP3A4CYP2D6CYP2C19
SCHEMBL872115 0.81
SCHEMBL7072643 0.76
SCHEMBL444647 0.74
SCHEMBL15453315 0.74
SCHEMBL4450606 0.74
Bromide SCHEMBL27799185 0.74 CYP3A4 (0.43) CYP3A4CYP2D6CYP2C19TAAR1ALDH1A1
SCHEMBL2567146 0.74
SCHEMBL17868738 0.73 CYP2C19 (0.40) TRIM24TRIM33CYP3A4CYP2D6CYP2C19
SCHEMBL8284720 0.73 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C19TAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-103408534-B The synthesis technique of eletriptan ZHANG JIA GANG VINSCE BIO-PHARM Co.,Ltd. (CN) 2016-05-04 CN disclosed
US-20140039171-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-06 US disclosed
EP-2682399-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS Meiji Seika Pharma Co., Ltd. (JP) 2014-01-08 EP disclosed
CN-103408534-A Novel synthetic process of Eletriptan ZHANGJIAGANG WEISHENG BIOLOG PHARMACEUTICAL CO LTD 2013-11-27 CN disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 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-20140039171-A1 NOVEL MACROLIDE INTERMEDIATE AND NOVEL PRODUCTION PROCESS MRPL21, PIGS, CYP51A1 TRIM24 1887/4885TRIM33 3910/4885CYP3A4 63/4885

“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.