SCHEMBL14122016

SCHEMBL14122016

COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(OC)ccc2OC)N1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.67
CCKBR P32239 2/20 0.62
KDM4E B2RXH2 4/20 0.62
HSD17B10 Q99714 2/20 0.62
TSHR P16473 2/20 0.62
HTT P42858 1/20 0.62
ALDH1A1 P00352 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ALOX12 P18054 1/20 0.59
CYP2D6 P10635 3/20 0.57
CYP2C19 P33261 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HDAC1 Q13547 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
CYP1A2 P05177 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL14121883 1.00 PDE5A (0.67) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL14122143 1.00 PDE5A (0.67) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL14121446 1.00 PDE5A (0.67) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL17760562 0.93 PDE5A (0.69) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL17760548 0.93 PDE5A (0.69) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL4047718 0.90 CCKBR (0.71) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL5033704 0.88 PDE5A (0.64) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL17760604 0.85 KDM4E (0.70) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL17624908 0.85 KDM4E (0.70) PDE5ACCKBRKDM4EHSD17B10TSHR
SCHEMBL5116651 0.84 CCKBR (0.74) PDE5ACCKBRKDM4EHSD17B10TSHR

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-9169247-B2 Tetrahydro-beta-carboline derivatives, synthesis and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2015-10-27 US disclosed
US-9169247-B2 Tetrahydro-beta-carboline derivatives, synthesis and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2015-10-27 US disclosed
US-20120309781-A1 TETRAHYDRO-beta-CARBOLINE DERIVATIVES, SYNTHESIS AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2012-12-06 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-20120309781-A1 TETRAHYDRO-beta-CARBOLINE DERIVATIVES, SYNTHESIS AND USE THEREOF PDE5A, PDE3A, PDE3B PDE5A 1/4885CCKBR 2503/4885KDM4E 839/4885

“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.