SCHEMBL3035322

SCHEMBL3035322

COc1cccc(N2CCCCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.69
MAPT P10636 6/20 0.63
NPC1 O15118 3/20 0.63
KCNH2 Q12809 2/20 0.61
DRD2 P14416 1/20 0.61
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 1/20 0.55
TSHR P16473 3/20 0.55
RAB9A P51151 2/20 0.54
ALOX15 P16050 1/20 0.54
QSOX1 O00391 1/20 0.54
LMNA P02545 1/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL30180110 1.00 ADRB1 (0.69) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL3051915 0.98 ADRB1 (0.71) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL30255158 0.98 ADRB1 (0.71) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL23675047 0.94 ADRB1 (0.71) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL11074672 0.90 ADRB1 (0.76) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL2277657 0.85 ADRB1 (0.56) ADRB1MAPTNPC1KCNH2DRD2
Anisole SCHEMBL27764388 0.85 ALDH1A1 (0.54) ADRB1MAPTMEN1CYP3A4KMT2A
SCHEMBL19212406 0.85 ADRB1 (0.69) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL23657330 0.84 KCNH2 (0.61) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL23975996 0.83 ADRB1 (0.58) ADRB1MAPTNPC1KCNH2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396316-B1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP claimed
US-8937078-B2 Quinazolinones as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-01-20 US claimed
EP-2396316-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2011-12-21 EP claimed
WO-2010093727-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-08-19 WO claimed
US-20100204226-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 US claimed
US-6596724-B2 Used in promoting weight loss and treating eating disorders BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US claimed
US-6391881-B2 ANOREXOGENIC AGENTS TO PROMOTE WEIGHT LOSS AND TREAT EATING DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2002-05-21 US claimed
US-20020013323-A1 Oxadiazole and thiadiazole derivatives of dihydropyridine NPY antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-01-31 US claimed
WO-2001089528-A1 THIOUREA DERIVATIVES OF DIHYDROPYRIDINE NPY ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-29 WO claimed
US-20010047003-A1 Anorexogenic agents to promote weight loss and treat eating disorders SIT SING-YUEN (US) 2001-11-29 US claimed
US-11492359-B2 Near-infrared nerve-sparing fluorophores OREGON HEALTH & SCIENCE UNIVERSITY (US) 2022-11-08 US disclosed
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-10-14 US disclosed
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-10-14 US disclosed
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-08-05 US disclosed
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-08-05 US disclosed
US-4209618-A COLOR PRECURSORS IN PRESSURE-SENSITIVE DUPLICATING SYSTEMS AND HEAT-SENSITIVE MARKING SYSTEMS STERLING DRUG INC. (US) 1980-06-24 US disclosed
US-4200751-A COLOR-FORMING AGENTS YAMAMOTO KAGAKU GOSEI CO., LTD. (JP) 1980-04-29 US disclosed
US-4096176-A Benzoylbenzoic acids STERLING DRUG INC. (US) 1978-06-20 US disclosed
US-4094877-A SUBSTITUTED 3,3-DIPHENYLPHTHALIDES AS COLOR PRECURSORS STERLING DRUG INC. (US) 1978-06-13 US disclosed
US-4032527-A COLOR PRECURSORS STERLING DRUG INC. (US) 1977-06-28 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-11492359-B2 Near-infrared nerve-sparing fluorophores NTRK1, PMP22, GAP43 ADRB1 706/4885MAPT 636/4885NPC1 3548/4885
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION PFAS, NPFFR2, NPFFR1 ADRB1 2211/4885MAPT 1093/4885NPC1 1620/4885
US-20100204226-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS P4HA1, EGLN3, EGLN2 ADRB1 2413/4885MAPT 4308/4885NPC1 2457/4885
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES NTRK1, NGF, SMN1; SMN2 ADRB1 1287/4885MAPT 803/4885NPC1 2076/4885
US-20020013323-A1 Oxadiazole and thiadiazole derivatives of dihydropyridine NPY antagonists NPY1R, NPY2R, NPY5R ADRB1 133/4885MAPT 3991/4885NPC1 4659/4885
US-20010047003-A1 Anorexogenic agents to promote weight loss and treat eating disorders NPY1R, NPY2R, NPY5R ADRB1 159/4885MAPT 4424/4885NPC1 2625/4885

“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.