SCHEMBL516024

SCHEMBL516024

CN(C)C(c1ccccc1)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.50
HRH1 P35367 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
AOC3 Q16853 7/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7586902 0.77 HTR2A (0.52) HTR2AHRH1KDM4EALDH1A1TDP1
SCHEMBL674996 0.77 CHRNA7 (0.59) HTR2AHRH1KDM4EALDH1A1TDP1
SCHEMBL25638432 0.76 KDM4E (0.45) HTR2AHRH1KDM4EALDH1A1TDP1
Water SCHEMBL28355612 0.74 CHRNA7 (0.56) HTR2AHRH1KDM4EALDH1A1TDP1
SCHEMBL774509 0.74 MEN1 (0.55) HTR2AHRH1KDM4EALDH1A1TDP1
SCHEMBL366705 0.74 MEN1 (0.55) HTR2AHRH1KDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL11332719 0.74 CHRNA7 (0.56) HTR2AHRH1KDM4EALDH1A1TDP1
SCHEMBL735155 0.74 MEN1 (0.55) HTR2AHRH1KDM4EALDH1A1TDP1
SCHEMBL9814876 0.74 CHRNA7 (0.64) ALDH1A1TDP1MEN1KMT2ATSHR
SCHEMBL3356477 0.74 HTR2A (0.50) HTR2AHRH1KDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006031411-A2 A CONDUCTIVE LITHOGRAPHIC POLYMER MIXTURE AND METHOD OF MAKING DEVICES USING SAME INTEL CORPORATION (US) 2006-03-23 WO claimed
EP-3374344-B1 IMPROVED PROCESS FOR THE REDUCTIVE AMINATION OF HALOGEN-CONTAINING SUBSTRATES TAMINCO BV (BE) 2023-10-04 EP disclosed
US-11691136-B2 Olefin oligomerization catalyst and method for producing olefin oligomer in the presence of the same catalyst MITSUI CHEMICALS, INC. (JP) 2023-07-04 US disclosed
US-11691136-B2 Olefin oligomerization catalyst and method for producing olefin oligomer in the presence of the same catalyst MITSUI CHEMICALS, INC. (JP) 2023-07-04 US disclosed
US-10766972-B2 Modified conjugated diene-based polymer and method for producing the same, and modified conjugated diene-based polymer composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-09-08 US disclosed
US-20200222886-A1 OLEFIN OLIGOMERIZATION CATALYST AND METHOD FOR PRODUCING OLEFIN OLIGOMER IN THE PRESENCE OF THE SAME CATALYST MITSUI CHEMICALS, INC. (JP) 2020-07-16 US disclosed
US-10544087-B2 Process for the reductive amination of halogen-containing substrates TAMINCO BVBA (BE) 2020-01-28 US disclosed
US-10464879-B2 Process for the reductive amination of halogen-containing substrates TAMINCO BVBA (BE) 2019-11-05 US disclosed
EP-3260476-B1 MODIFIED CONJUGATED DIENE-BASED POLYMER, MANUFACTURING METHOD THEREOF, AND MODIFIED CONJUGATED DIENE-BASED POLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2019-05-08 EP disclosed
EP-3374344-A1 IMPROVED PROCESS FOR THE REDUCTIVE AMINATION OF HALOGEN-CONTAINING SUBSTRATES Taminco bvba (BE) 2018-09-19 EP disclosed
EP-1043306-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and use GRUENENTHAL GMBH (DE) 2004-03-31 EP disclosed
US-20030008859-A1 Use of substituted 4-amino-1-phenylbutan-2-ol compounds as medicaments GRUENENTHAL GMBH (DE) 2003-01-09 US disclosed
EP-1253917-A2 USE OF SUBSTITUTED 4-AMINO-1-PHENYLBUTAN-2-OL COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2002-11-06 EP disclosed
US-6410790-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2002-06-25 US disclosed
WO-2001047506-A2 USE OF SUBSTITUTED 4-AMINO-1-PHENYLBUTAN-2-OL COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2001-07-05 WO disclosed
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP disclosed
EP-1043306-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and use Grünenthal GmbH (DE) 2000-10-11 EP disclosed
US-4886720-A Photosensitive medium having a styryl charge transport material MINOLTA CAMERA KABUSHIKI KAISHA (JP) 1989-12-12 US disclosed
US-4423247-A AMINOALKYLATION, NONCATALYTIC REACTION BASF AKTIENGESELLSCHAFT (DE) 1983-12-27 US disclosed
US-4181661-A SCHIZOPHRENIA, PSYCHOLOGICAL DISORDERS MERCK & CO., INC. (US) 1980-01-01 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 (3 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-20030008859-A1 Use of substituted 4-amino-1-phenylbutan-2-ol compounds as medicaments OPRL1, OPRM1, OPRK1 HTR2A 356/4885HRH1 224/4885KDM4E 4401/4885
US-20200222886-A1 OLEFIN OLIGOMERIZATION CATALYST AND METHOD FOR PRODUCING OLEFIN OLIGOMER IN THE PRESENCE OF THE SAME CATALYST OXER1, COG6, CBR1 HTR2A 1012/4885HRH1 148/4885KDM4E 3804/4885
US-11691136-B2 Olefin oligomerization catalyst and method for producing olefin oligomer in the presence of the same catalyst OXER1, COG6, CBR1 HTR2A 1012/4885HRH1 148/4885KDM4E 3804/4885

“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.