SCHEMBL3884865

SCHEMBL3884865

C=CCNC/C=C/c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.45
PRMT1 Q99873 1/20 0.44
MAOB P27338 1/20 0.43
IDO1 P14902 2/20 0.42
PAM P19021 1/20 0.42
HTR2A P28223 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL3884868 1.00 RAB9A (0.47) RAB9AKDM4EALDH1A1PRMT1MAOB
(Z)-1,2-Diphenylethene SCHEMBL11896257 0.90 ALDH1A1 (0.44) RAB9AKDM4EALDH1A1MAOBMEN1
SCHEMBL2770961 0.89 KDM4E (0.55) RAB9AKDM4EALDH1A1PRMT1MAOB
SCHEMBL2770965 0.89 KDM4E (0.55) RAB9AKDM4EALDH1A1PRMT1MAOB
SCHEMBL11200701 0.83 ADRB2 (0.42) RAB9AKDM4EPRMT1MAOBIDO1
SCHEMBL4356479 0.82 RAB9A (0.49) RAB9AKDM4EALDH1A1PRMT1MAOB
SCHEMBL4356484 0.82 RAB9A (0.49) RAB9AKDM4EALDH1A1PRMT1MAOB
SCHEMBL11597360 0.81 PRMT1 (0.55) RAB9AKDM4EALDH1A1PRMT1MAOB
SCHEMBL14275030 0.81 KDM4E (0.52) RAB9AKDM4EALDH1A1PRMT1MAOB
Styrene SCHEMBL608141 0.81 ALDH1A1 (0.64) RAB9AKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193391-B2 Process for preparation of 3-(2-hydroxy-5-substituted phenyl)-N-alkyl-3-phenylpropylamines LEK PHARMACEUTICALS, D.D. (SI) 2012-06-05 US disclosed
US-7550500-B2 Bicyclic and tricyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
EP-2044001-A1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-SUBSTITUTED PHENYL)-N-ALKYL-3-PHENYLPROPYLAMINES Lek Pharmaceuticals D.D. (SI) 2009-04-08 EP disclosed
WO-2007147547-A1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-SUBSTITUTED PHENYL)-N-ALKYL-3-PHENYLPROPYLAMINES LEK PHARMACEUTICALS D.D. (SI) 2007-12-27 WO disclosed
US-20060014964-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity DUNCIA JOHN V 2006-01-19 US disclosed
US-6960666-B2 Bicyclic and tricyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-01 US disclosed
US-20040209876-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity DUNCIA JOHN V (US) 2004-10-21 US disclosed
US-6784200-B2 SUCH AS N-3-(CIS-2,3,3A,4,9,9A-HEXAHYDRO-1H-BENZ(F)ISOINDOL-2-YL)-N-PROP-1-YL-N'-3 -ACETYLPHENYLUREA FOR PREVENTION OF INFLAMMATORY DISEASES (ASTHMA AND ALLERGIES) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-31 US disclosed
US-20040006084-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity DUNCIA JOHN V (US) 2004-01-08 US disclosed
EP-0740658-B1 N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES USED, FOR EXAMPLE, AS NEUROLEPTICS ABBOTT GMBH & CO KG (DE) 2003-07-02 EP disclosed
US-5521209-A N-substituted azabicyclo[3.2.0]heptane derivatives as neuroleptics, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1996-05-28 US disclosed
US-5475105-A N-substituted azabicycloheptane derivatives BASF AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
US-5473080-A Substituted azabicycloheptane derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1995-12-05 US disclosed
WO-1995015312-A1 N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES USED, FOR EXAMPLE, AS NEUROLEPTICS BASF AKTIENGESELLSCHAFT (DE) 1995-06-08 WO disclosed
EP-0647231-A1 N-SUBSTITUTED 3-AZABICYCLO 3.2.0]HEPTANE DERIVATES USEFUL AS NEUROLEPTIC AGENTS, ETC. BASF AG (DE) 1995-04-12 EP disclosed
EP-0646110-A1 N-SUBSTITUED 3-AZABICYCLO 3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS ETC. BASF AG (DE) 1995-04-05 EP disclosed
EP-0646113-A1 SUBSTITUED 3-AZABICYCLO 3.2.0]HEPTANE DERIVATES USEFUL AS INTERMEDIATE PRODUCTS. BASF AG (DE) 1995-04-05 EP disclosed
WO-1994000431-A1 N-SUBSTITUED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS ETC. BASF AKTIENGESELLSCHAFT (DE) 1994-01-06 WO disclosed
WO-1994000458-A1 N-SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATES USEFUL AS NEUROLEPTIC AGENTS, ETC. BASF AKTIENGESELLSCHAFT (DE) 1994-01-06 WO disclosed
WO-1994000445-A1 SUBSTITUED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATES USEFUL AS INTERMEDIATE PRODUCTS BASF AKTIENGESELLSCHAFT (DE) 1994-01-06 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 (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-20040209876-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR1, CCR3, CCR10 RAB9A 1544/4885KDM4E 4658/4885ALDH1A1 964/4885
US-20040006084-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR1, CCR3, CCR10 RAB9A 1544/4885KDM4E 4658/4885ALDH1A1 964/4885
US-20060014964-A1 Bicyclic and tricyclic amines as modulators of chemokine receptor activity CCR3, CCR1, NR1I3 RAB9A 1448/4885KDM4E 4209/4885ALDH1A1 1875/4885

“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.