SCHEMBL6773993

SCHEMBL6773993

OC[C@H]1CCC2(CCN(Cc3ccccc3)CC2)O1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.58
OPRL1 P41146 1/20 0.49
CCR3 P51677 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL6824251 1.00 SIGMAR1 (0.58) SIGMAR1OPRL1CCR3MEN1ALDH1A1
SCHEMBL6819672 0.85 SIGMAR1 (0.47) SIGMAR1OPRL1
SCHEMBL6825099 0.83 SIGMAR1 (0.61) SIGMAR1CYP3A4HSD17B10
SCHEMBL6778524 0.79 SIGMAR1 (0.43) SIGMAR1CYP3A4HSD17B10
SCHEMBL6823360 0.78 SIGMAR1 (0.59) SIGMAR1OPRL1CYP3A4HSD17B10
SCHEMBL26126143 0.76 SIGMAR1 (0.50) SIGMAR1
SCHEMBL6819861 0.75 SIGMAR1 (0.49) SIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL17073343 0.74 SIGMAR1 (0.48) SIGMAR1ALDH1A1
SCHEMBL17065390 0.74 SIGMAR1 (0.48) SIGMAR1ALDH1A1
SCHEMBL26128026 0.74 SIGMAR1 (0.48) SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699870-B2 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. (JP) 2004-03-02 US disclosed
US-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. 2003-06-05 US disclosed
US-6498159-B1 SUCH AS 4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-1-((4-HYDROXY-4 -HYDROXYMETHYL)PIPERIDINO)-6-PHTHALAZINE CARBONITRILE EISAI CO., LTD. (JP) 2002-12-24 US disclosed
EP-1057819-A1 PHTHALAZINE DERIVATIVES AND REMEDIES FOR ERECTILE DYSFUNCTION Eisai Co., Ltd. (JP) 2000-12-06 EP 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-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction CLIC1, CBR1, CBR3 SIGMAR1 865/4885OPRL1 956/4885CCR3 823/4885

“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.