SCHEMBL6871392

SCHEMBL6871392

CC1=C(N[C@@H](C)c2ccccc2)CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.50
▸ TAAR1 Q96RJ0 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ LMNA P02545 4/20 0.45
▸ GAA P10253 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GALR3 O60755 1/20 0.37
▸ NR2F2 P24468 1/20 0.37

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
SCHEMBL13039964 1.00 CYP2D6 (0.50) CYP2D6TAAR1POLBLMNAGAA
SCHEMBL6725960 0.77 CYP2D6 (0.49) CYP2D6TAAR1POLBLMNAKMT2A
SCHEMBL12846428 0.77 CYP2D6 (0.46) CYP2D6TAAR1POLBLMNAGAA
SCHEMBL14847482 0.77 CYP2D6 (0.46) CYP2D6TAAR1POLBLMNAGAA
SCHEMBL1044302 0.77 CYP2D6 (0.49) CYP2D6TAAR1POLBLMNAKMT2A
SCHEMBL10169593 0.77 CYP2D6 (0.46) CYP2D6TAAR1POLBLMNAGAA
SCHEMBL17339207 0.73 ALDH1A1 (0.44) CYP2D6TAAR1POLBLMNAGAA
SCHEMBL17339199 0.73 CYP2D6 (0.46) CYP2D6TAAR1POLBLMNAKMT2A
SCHEMBL20059249 0.73 ALDH1A1 (0.44) CYP2D6TAAR1POLBLMNAGAA
SCHEMBL6719047 0.73 CYP2D6 (0.46) CYP2D6TAAR1POLBLMNAKMT2A

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
US-20110065930-A1 PROCESS FOR THE SYNTHESIS OF (2S,3AR,7AS)-OCTAHYDRO-1H-INDOLE CARBOXYLIC ACID AS AN INTERMEDIATE FOR TRANDOLAPRIL ABBOTT LABORATORIES (US) 2011-03-17 — — US disclosed
WO-2011009021-A1 PROCESSES FOR THE SYNTHESIS OF (2S, 3AR, 7AS)-OCTAHYDRO-1H-INDOLE CARBOXYLIC ACID AS AN INTERMEDIATE FOR TRANDOLAPRIL ABBOTT LABORATORIES (US) 2011-01-20 — — WO 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-20110065930-A1 PROCESS FOR THE SYNTHESIS OF (2S,3AR,7AS)-OCTAHYDRO-1H-INDOLE CARBOXYLIC ACID AS AN INTERMEDIATE FOR TRANDOLAPRIL TPH1, HTR1A, HTR3A CYP2D6 55/4885TAAR1 60/4885POLB 3915/4885

“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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