SCHEMBL6786592

SCHEMBL6786592

NCCCN1CC=CC=C1C1=CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.36
SIGMAR1 Q99720 2/20 0.33
QDPR P09417 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
DRD2 P14416 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL1077942 0.68 HTR2C (0.37) HTR2CSIGMAR1QDPRKDM4EALDH1A1
SCHEMBL6793606 0.67 MAPKAPK2 (0.45) HTR2CSIGMAR1ALDH1A1MAPT
SCHEMBL6805142 0.66 ALDH1A1 (0.41) HTR2CKDM4EALDH1A1MAPTALOX15
SCHEMBL7626552 0.66
SCHEMBL7098810 0.65 DRD4 (0.35) HTR2CALDH1A1MAPTALOX15
SCHEMBL6236536 0.65 MAPT (0.41) KDM4EALDH1A1MAPT
SCHEMBL15244941 0.62 QDPR (0.46) HTR2CSIGMAR1QDPR
SCHEMBL23074510 0.60 SIGMAR1 (0.46) HTR2CSIGMAR1QDPRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL27354414 0.58 HTR2C (0.61) HTR2CSIGMAR1QDPRKDM4EALDH1A1
SCHEMBL24169982 0.58 HTR2A (0.32) SIGMAR1

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-6727257-B1 HYPOTENSIVE AGENTS FOR INTRAOCULAR PRESSURE; ANTICHOLESTEROL AGENTS; RELAXING URINARY TRACT TISSUE; BENIGN PROSTATIC HYPERPLASIA, IMPOTENCY, AND CARDIOVASCULAR DISORDERS; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
US-20020010186-A1 Dihydropyrimidines and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-24 US disclosed
US-6245773-B1 BENIGN PROSTATIC HYPERPLAMIA; REDUCTION OF INTRAOCULAR PRESSURE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-12 US disclosed
WO-1996014846-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-05-23 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-20020010186-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D HTR2C 1037/4885SIGMAR1 534/4885QDPR 1/4885

“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.