SCHEMBL5889295

SCHEMBL5889295

c1ccc(C2=NC(c3ccccc3)CCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.54
NOS2 P35228 2/20 0.54
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
P2RX7 Q99572 2/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NOS3 P29474 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC18A3 Q16572 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL5889312 0.89 NOS1 (0.49) NOS1NOS2CHRNB4CHRNA3MAOA
SCHEMBL14457840 0.77 MAOA (0.47) NOS1NOS2MAOAMAOBMEN1
SCHEMBL14457932 0.77 NOS1 (0.42) NOS1NOS2MAOBMEN1KMT2A
SCHEMBL14457906 0.77 ALDH1A1 (0.44) NOS1NOS2TAAR1MEN1KMT2A
SCHEMBL7852010 0.75 CHRNB2 (0.44) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL17309174 0.75 MAOB (0.49) NOS2MAOAMAOBTAAR1MEN1
Hydrochloric Acid SCHEMBL11719754 0.74 NOS2 (0.90) NOS1NOS2MAOAMAOBTAAR1
SCHEMBL14457874 0.74 CHRNB4 (0.45) NOS1NOS2CHRNB4CHRNA3MAOA
SCHEMBL5889318 0.74 ALDH1A1 (0.56) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL20080246 0.73 MAOB (0.40) NOS1NOS2CHRNB4CHRNA3MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017011531-A2 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-19 WO disclosed
US-7122506-B2 Cyclic imines as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2006-10-17 US disclosed
EP-1077938-B1 2-(2-METHYLPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2005-04-13 EP disclosed
US-20040186287-A1 Cyclic imines as pesticides PLANT ANDREW (DE) 2004-09-23 US disclosed
EP-1080072-B1 2-(2-CHLOROPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-08-04 EP disclosed
US-6770595-B2 ACTIVITY AGAINST ARTHROPODS IN AGRICULTURE AND PARASITES ENCOUNTERED IN ANIMAL HUSBANDRY BAYER AKTIENGESELLSCHAFT (DE) 2004-08-03 US disclosed
US-6632833-B1 Their preparation and to their use as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2003-10-14 US disclosed
US-6599924-B1 2-hetaryl-3,4 dihydro-2H-pyrrole pesticide BAYER AKTIENGESELLSCHAFT (DE) 2003-07-29 US disclosed
EP-1306371-A1 Cyclic imines Bayer CropScience AG (DE) 2003-05-02 EP disclosed
EP-1306371-A1 Cyclic imines Bayer CropScience AG (DE) 2003-05-02 EP disclosed
US-6399771-B1 AGRICULTURE; VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 2002-06-04 US disclosed
US-6274613-B1 APPLYING COMPOUNDS SUCH AS A GAMMA-ETHOXY-GAMMA-BUTYROLACTAM TO PESTS AND/OR THEIR HABITATS BAYER AKTIENGESELLSCHAFT (DE) 2001-08-14 US disclosed
EP-1121357-A1 2-HETARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2001-08-08 EP disclosed
EP-1080072-A1 2-(2-CHLOROPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES Bayer Aktiengesellschaft (DE) 2001-03-07 EP disclosed
EP-1077938-A1 2-(2-METHYLPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES BAYER AG (DE) 2001-02-28 EP disclosed
WO-2000021958-A1 2-HETARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-04-20 WO disclosed
WO-1999059968-A1 2-(2-CHLOROPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
WO-1999059967-A1 2-(2-METHYLPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
EP-0942901-A1 CYCLIC IMINES AS PESTICIDES BAYER AG (DE) 1999-09-22 EP disclosed
WO-1998022438-A1 CYCLIC IMINES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-05-28 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 (1 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-20040186287-A1 Cyclic imines as pesticides DDT, CYP1A1, AR NOS1 2198/4885NOS2 3217/4885CHRNB4 725/4885

“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.