SCHEMBL7525878

SCHEMBL7525878

c1ccc(C2(c3cccnc3)CCNCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.69
HTR2A P28223 1/20 0.55
AKT2 P31751 2/20 0.54
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
AKT1 P31749 1/20 0.39
AKT3 Q9Y243 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CYP2C9 P11712 1/20 0.39
OPRL1 P41146 2/20 0.38
CYP3A4 P08684 1/20 0.38
VNN1 O95497 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
KCNH2 Q12809 2/20 0.37

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
SCHEMBL738518 0.83 OPRM1 (1.00) OPRM1HTR2AAKT2MEN1KMT2A
Hydrochloric Acid SCHEMBL1765284 0.81 OPRM1 (0.95) OPRM1HTR2AAKT2MEN1KMT2A
SCHEMBL23647413 0.77 OPRM1 (0.41) OPRM1MEN1KMT2AALDH1A1CHRNB2
SCHEMBL639774 0.77 ALDH1A1 (0.51) OPRM1MEN1KMT2AALDH1A1LMNA
SCHEMBL31158371 0.77 OPRM1 (0.41) OPRM1MEN1KMT2AALDH1A1CHRNB2
SCHEMBL13139599 0.77 OPRM1 (0.41) OPRM1HTR2AMEN1KMT2AALDH1A1
SCHEMBL30814823 0.77 ALDH1A1 (0.51) OPRM1MEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL20744334 0.76 OPRM1 (0.40) OPRM1HTR2AMEN1KMT2AALDH1A1
SCHEMBL7885473 0.76 OPRM1 (0.83) OPRM1HTR2AAKT2MEN1KMT2A
SCHEMBL8302463 0.76 ITGA4 (0.46) OPRM1MEN1KMT2AALDH1A1LMNA

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 OPRM1 878/4885HTR2A 590/4885AKT2 3253/4885

“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.