SCHEMBL7527316

SCHEMBL7527316

NCCCN1CCC(c2ccccc2)(c2cccnc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.49
SIGMAR1 Q99720 3/20 0.46
CYP2D6 P10635 1/20 0.46
ADRA1A P35348 1/20 0.45
HTR7 P34969 1/20 0.43
ALDH1A1 P00352 1/20 0.40
LMNA P02545 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
SCHEMBL6195779 0.87 SIGMAR1 (0.57) SIGMAR1CYP2D6ADRA1AHTR7
SCHEMBL5729369 0.82 SIGMAR1 (0.58) SIGMAR1CYP2D6ADRA1AHTR7
Propylamine SCHEMBL8638613 0.81 ADRA1A (0.53) SIGMAR1CYP2D6ADRA1AHTR7
SCHEMBL7245716 0.79 CCR1 (0.54) CCR1SIGMAR1CYP2D6ADRA1A
SCHEMBL7243212 0.77 OPRM1 (0.52) SIGMAR1CYP2D6ADRA1AHTR7
SCHEMBL3628641 0.76 ADRA1A (0.53) CCR1SIGMAR1CYP2D6ADRA1AHTR7
SCHEMBL6196180 0.76 HSD17B10 (0.57) CCR1SIGMAR1ADRA1AHTR7ALDH1A1
SCHEMBL6955064 0.76 SIGMAR1 (0.46) SIGMAR1CYP2D6ADRA1AHTR7
SCHEMBL9394292 0.75 HTR7 (0.48) CCR1SIGMAR1ADRA1AHTR7ALDH1A1
SCHEMBL6686824 0.74 SIGMAR1 (0.53) SIGMAR1CYP2D6ADRA1A

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-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-1998051311-A2 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-11-19 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 CCR1 2951/4885SIGMAR1 534/4885CYP2D6 87/4885

“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.