SCHEMBL4313805

SCHEMBL4313805

C1=C(CCc2ccccn2)c2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.44
HSD17B10 Q99714 1/20 0.43
HTR6 P50406 1/20 0.43
CYP1A2 P05177 5/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ALOX15 P16050 1/20 0.40
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL11625344 0.91 HRH1 (0.49) HRH1HSD17B10HTR6CYP1A2CYP2D6
SCHEMBL1436947 0.85 HTR6 (0.51) HRH1HSD17B10HTR6CYP1A2CYP2D6
SCHEMBL29849641 0.85 HTR6 (0.51) HRH1HSD17B10HTR6CYP1A2CYP2D6
SCHEMBL5788565 0.83 CYP1A2 (0.35) HRH1HSD17B10HTR6CYP1A2CYP2D6
SCHEMBL2338975 0.82 HTR6 (0.56) HTR6
SCHEMBL31121639 0.82 HTR6 (0.56) HTR6
SCHEMBL11223271 0.75 HTR6 (0.47) HTR6CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL3868123 0.75 HTR6 (0.53) HTR6ALDH1A1LMNA
SCHEMBL3874874 0.75 HTR6 (0.53) HTR6ALDH1A1LMNA
SCHEMBL29485678 0.74 HRH1 (0.73) HRH1HSD17B10CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541481-B2 Monocyclopentadienyl complex BASELL POLYOLEFIN GMBH (DE) 2009-06-02 US disclosed
CN-100334098-C New monocyclopentadienyl complex BASELL POLYOLEFINE GMBH (DE) 2007-08-29 CN disclosed
US-20070155918-A1 Monocyclopentadienyl complex BASELL POLYOLEFINE GMBH (DE) 2007-07-05 US disclosed
US-20060089253-A1 Monocyclopentadienyl complexes BASELL POLYOLEFINE GMBH (DE) 2006-04-27 US disclosed
EP-1534724-B1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2006-03-08 EP disclosed
CN-1688594-A New monocyclopentadienyl complex BASELL POLYOLEFINE GMBH (DE) 2005-10-26 CN disclosed
EP-1534724-A2 MONOCYCLOPENTADIENYL COMPLEXES Basell Polyolefine GmbH (DE) 2005-06-01 EP disclosed
WO-2004020479-A2 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2004-03-11 WO disclosed
US-4127578-A Diene intermediates for indantetrols E. R. SQUIBB & SONS, INC. (US) 1978-11-28 US disclosed
US-4092318-A HYPOTENSIVES E. R. SQUIBB & SONS, INC. (US) 1978-05-30 US disclosed
US-4044040-A HYPERTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-08-23 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 (2 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-20070155918-A1 Monocyclopentadienyl complex COASY, PCBP1, ORC3 HRH1 4291/4885HSD17B10 566/4885HTR6 3910/4885
US-20060089253-A1 Monocyclopentadienyl complexes COASY, PCBP1, ORC3 HRH1 3967/4885HSD17B10 673/4885HTR6 3147/4885

“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.