SCHEMBL7245308

SCHEMBL7245308

CC1=C(C(=O)O)C(c2ccc3c(c2)OCCO3)C(N(C)C=O)=C(C)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 2/20 0.41
ADRA2A P08913 4/20 0.41
ADRA2B P18089 4/20 0.41
ADRA2C P18825 4/20 0.41
ADRA1D P25100 4/20 0.41
ADRA1A P35348 4/20 0.41
ADRA1B P35368 4/20 0.41
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
KDM4E B2RXH2 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TERT O14746 2/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL7237628 0.81 ALDH1A1 (0.46) NOTCH1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL9505147 0.77 ADRA2A (0.51) NOTCH1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL7253466 0.77 KDM4E (0.38) NOTCH1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL7239201 0.74 CACNA1B (0.53) NOTCH1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL7240134 0.72 ADRA1A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL4254046 0.70 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10TSHRKDM4E
SCHEMBL9345653 0.66 HDAC4 (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10617897 0.65 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL25541795 0.64 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9350057 0.62 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608086-B2 Selective adrenergic receptor alpha 1C antagonists without significant calcium channel activity; treating benign prostatic hyperplasia, intraocular pressure and inhibiting cholesterol synthesis SYNAPTIC PHARMACEUTICAL CORPORATION 2003-08-19 US disclosed
US-20020193599-A1 Dihydropyridines and new uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-19 US disclosed
US-6310076-B1 TREATING BENIGN PROSTATIC HYPERPLASIA, LOWERING INTRAOCULAR PRESSURE, INHIBITING CHOLESTEROL SYNTHESIS, TREATING DISEASES MEDIATED BY ALPHA-1 RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-10-30 US disclosed
US-6211198-B1 BENIGN PROSTATE HYPERPLASIA; INTRAOCULAR PRESSURE; HYPOTENSIVE AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-03 US disclosed
US-5767131-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA, INHIBITION OF CHOLESTEROL SYNTHESIS, LOWERING OF INTRAOCULAR PRESSURE; ALPHA-ADRENERGIC RECEPTOR DISEASES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-06-16 US disclosed
WO-1994022829-A2 DIHYDROPYRIDINES AND NEW USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1994-10-13 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-20020193599-A1 Dihydropyridines and new uses thereof BPHL, BCKDK, DHCR7 NOTCH1 4000/4885ADRA2A 84/4885ADRA2B 53/4885

“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.