SCHEMBL322211

SCHEMBL322211

O=C(O)c1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.93
HPGD P15428 6/20 0.69
CYP1A2 P05177 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPC1 O15118 4/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TSHR P16473 2/20 0.57
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA9 Q16790 1/20 0.56
MAPT P10636 2/20 0.56
GFER P55789 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL505844 0.98 ALDH1A1 (0.90) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL70639 0.96 ALDH1A1 (1.00) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL458632 0.85 ALDH1A1 (0.68) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL25676615 0.85 ALDH1A1 (0.68) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL6236939 0.85 ALDH1A1 (0.68) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10422229 0.83 ALDH1A1 (0.76) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL11142367 0.83 ALDH1A1 (0.74) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL4418893 0.83 ALDH1A1 (0.75) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL457785 0.83 ALDH1A1 (0.75) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL12359037 0.83 ALDH1A1 (0.75) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343707-A1 SUBSTITUTED PHENYL ETHYNYL PYRIMIDINES AS POTENT INHIBITORS OF ALPHAVIRUSES SOUTHERN RESEARCH INSTITUTE 2024-10-17 US disclosed
WO-2024215771-A1 SUBSTITUTED PHENYL ETHYNYL PYRIMIDINES AS POTENT INHIBITORS OF ALPHAVIRUSES SOUTHERN RESEARCH INSTITUTE (US) 2024-10-17 WO disclosed
EP-3189048-B1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-03-17 EP disclosed
EP-3189048-B1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-03-17 EP disclosed
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 US disclosed
US-20180244673-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-30 US disclosed
US-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors CTXT PTY. LTD. (AU) 2018-06-26 US disclosed
US-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors CTXT PTY. LTD. (AU) 2018-06-26 US disclosed
US-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors CTXT PTY. LTD. (AU) 2018-06-26 US disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 US disclosed
WO-2004017963-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2004-03-04 WO disclosed
US-6670359-B2 Such as (S)-N-(5-(4-Methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl)-4 -morpholinobenzamide for treatment of mood/anxiety/eating disorders ASTRAZENECA AB (SE) 2003-12-30 US disclosed
EP-1025095-B1 SUBSTITUTED CHROMAN DERIVATIVES ASTRAZENECA AB (SE) 2003-11-26 EP disclosed
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-10-09 US disclosed
US-20030100556-A1 Substituted chroman derivatives BERG STEFAN (SE) 2003-05-29 US disclosed
WO-2003026652-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 WO disclosed
EP-0888319-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-6479497-B1 COMPOUNDS HAVING A SELECTIVE EFFECT AT A SUBGROUP OF 5-HYDROXYTRYPTAMINE RECEPTORS, DESIGNATED THE H5-HT1B RECEPTOR ASTRAZENECA AB (SE) 2002-11-12 US disclosed
US-6410530-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-06-25 US disclosed
US-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 US 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 (6 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-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors PRMT5, PRMT1, PRMT3 ALDH1A1 2987/4885HPGD 1545/4885CYP1A2 767/4885
US-20180244673-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ALDH1A1 3371/4885HPGD 2070/4885CYP1A2 1188/4885
US-20030100556-A1 Substituted chroman derivatives NR2C2, NR0B1, NR0B2 ALDH1A1 1803/4885HPGD 3424/4885CYP1A2 182/4885
US-20240343707-A1 SUBSTITUTED PHENYL ETHYNYL PYRIMIDINES AS POTENT INHIBITORS OF ALPHAVIRUSES PRNP, PNP, ZC3HAV1 ALDH1A1 1144/4885HPGD 2132/4885CYP1A2 3200/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ALDH1A1 3406/4885HPGD 2131/4885CYP1A2 1188/4885
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors PEPD, HABP2, CPB1 ALDH1A1 2453/4885HPGD 1207/4885CYP1A2 1381/4885

“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.