SCHEMBL10085645

SCHEMBL10085645

Cc1cccc(OCCCN)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.58
DRD4 P21917 2/20 0.58
DRD3 P35462 1/20 0.57
NOS3 P29474 1/20 0.56
NOS1 P29475 1/20 0.56
NOS2 P35228 1/20 0.56
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HSD17B10 Q99714 2/20 0.53
TDP1 Q9NUW8 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ACHE P22303 1/20 0.50
F2 P00734 1/20 0.50
RAB9A P51151 1/20 0.50

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
Dimethylamine SCHEMBL10861113 0.95 DRD2 (0.58) DRD2DRD4DRD3NOS3NOS1
SCHEMBL6846945 0.94 DRD2 (0.57) DRD2DRD4DRD3NOS3NOS1
SCHEMBL9926200 0.93 DRD2 (0.53) DRD2DRD4DRD3NOS3NOS1
SCHEMBL15922828 0.93 DRD2 (0.55) DRD2DRD4DRD3NOS3NOS1
SCHEMBL30230126 0.90 TAAR1 (0.57) DRD2DRD4DRD3KDM4EL3MBTL1
SCHEMBL7408051 0.90 TAAR1 (0.57) DRD2DRD4DRD3KDM4EL3MBTL1
SCHEMBL11674802 0.88 DRD2 (0.66) DRD2DRD4DRD3KDM4EL3MBTL1
SCHEMBL10798638 0.86 DRD2 (0.64) DRD2DRD4DRD3KDM4EL3MBTL1
SCHEMBL29381067 0.86 DRD2 (0.62) DRD2DRD4DRD3KDM4EL3MBTL1
SCHEMBL27465 0.86 DRD2 (0.62) DRD2DRD4DRD3KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022089524-A1 SILICA SOL HAVING PROTRUDED COLLOIDAL PARTICLE SURFACES, PREPARATION METHOD THEREFOR AND USE THEREOF 石家庄优士科电子科技有限公司 2022-05-05 WO disclosed
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 EP disclosed
CN-112299425-B Silica sol with convex colloid surface and preparation method and application thereof 石家庄优士科电子科技有限公司 2021-12-07 CN disclosed
CN-112299425-A Silica sol with convex colloid surface and preparation method and application thereof 石家庄优士科电子科技有限公司 2021-02-02 CN disclosed
EP-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 EP disclosed
US-9822115-B2 Nitrogen containing compounds and their use as antibacterial agents WOCKHARDT LIMITED (IN) 2017-11-21 US disclosed
US-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2016-12-08 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
WO-2015155306-A1 NEW TRPA1 ANTAGONISTS ALMIRALL, S.A. (ES) 2015-10-15 WO disclosed
WO-2012004732-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-01-12 WO disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
EP-0183147-A2 Beta-substituted aminophenethylazol derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-06-04 EP 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 (2 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-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A DRD2 730/4885DRD4 854/4885DRD3 505/4885
US-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NOS2, NOS1, NCF1 DRD2 2482/4885DRD4 1763/4885DRD3 2479/4885

“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.