SCHEMBL12604331

SCHEMBL12604331

CC(C)CCCc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.57
ALDH1A1 P00352 3/20 0.57
CYP2C19 P33261 2/20 0.57
HRH1 P35367 2/20 0.55
HRH3 Q9Y5N1 2/20 0.52
LMNA P02545 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
NAAA Q02083 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
CYP2D6 P10635 1/20 0.43
APP P05067 1/20 0.43

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
SCHEMBL16181057 0.94 HRH1 (0.58) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL574013 0.88 CYP1A2 (0.61) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL30201139 0.88 CYP1A2 (0.61) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL28848888 0.87 HRH1 (0.54) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL28848906 0.87 HRH1 (0.54) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL10398781 0.85 HRH1 (0.56) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL22420954 0.85 HRH1 (0.51) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL22420959 0.85 HRH1 (0.51) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL11877576 0.85 HRH1 (0.56) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL19861787 0.84 HRH1 (0.50) CYP1A2ALDH1A1CYP2C19HRH1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110099993-A The HI high impact fragrance microcapsule of density equalization 弗门尼舍有限公司 2019-08-06 CN claimed
WO-2024034666-A1 RUTHENIUM COMPLEX, METHOD FOR PRODUCING SAME, CATALYST COMPOSITION, OXIDATION METHOD AND METHOD FOR PRODUCING OXYGEN-CONTAINING COMPOUND 国立大学法人九州大学 2024-02-15 WO disclosed
US-20230250102-A1 DNA Polymerase IIIC Inhibitors and Use Thereof Acurx Pharmaceuticals, Inc. 2023-08-10 US disclosed
US-20230233539-A1 Use of Serotonin 5-HT1A Receptor Agonists to Treat Diseases Associated with Sudden Unexpected Death in Epilepsy NEUROLIXIS (FR) 2023-07-27 US disclosed
US-20230233539-A1 Use of Serotonin 5-HT1A Receptor Agonists to Treat Diseases Associated with Sudden Unexpected Death in Epilepsy NEUROLIXIS (FR) 2023-07-27 US disclosed
WO-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed
WO-2022192598-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-09-15 WO disclosed
US-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2022-04-21 US disclosed
US-20200308180-A1 DNA Polymerase IIIC Inhibitors and Use Thereof Acurx Pharmaceuticals, Inc. 2020-10-01 US disclosed
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 US disclosed
US-20130172187-A1 USE OF ARYL CARBAMATES IN AGRICULTURE AND OTHER PLANT-RELATED AREAS NORTH CAROLINA STATE UNIVERSITY 2013-07-04 US disclosed
US-8461180-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-06-11 US disclosed
US-8461180-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-06-11 US disclosed
US-20130123225-A1 INHIBITION OF BACTERIAL BIOFILMS WITH ARYL CARBAMATES NORTH CAROLINA STATE UNIVERSITY 2013-05-16 US disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2011-07-21 US disclosed
US-20110118249-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
CN-101980619-A Taste modifying product FIRMENICH & CIE 2011-02-23 CN disclosed
US-20090263405-A1 CpG OLIGONUCLEOTIDE PRODRUGS, COMPOSITIONS THEREOF AND ASSOCIATED THERAPEUTIC METHODS GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY (US) 2009-10-22 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 (11 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-20230233539-A1 Use of Serotonin 5-HT1A Receptor Agonists to Treat Diseases Associated with Sudden Unexpected Death in Epilepsy HTR1A, HTR5A, HTR1E CYP1A2 977/4885ALDH1A1 3508/4885CYP2C19 660/4885
US-20130172187-A1 USE OF ARYL CARBAMATES IN AGRICULTURE AND OTHER PLANT-RELATED AREAS CTRC, ACE, DDT CYP1A2 1467/4885ALDH1A1 2905/4885CYP2C19 1415/4885
US-20130123225-A1 INHIBITION OF BACTERIAL BIOFILMS WITH ARYL CARBAMATES PGLS, BLVRB, AADAC CYP1A2 1860/4885ALDH1A1 3261/4885CYP2C19 899/4885
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES DPYD, P2RX5, P2RX7 CYP1A2 450/4885ALDH1A1 1266/4885CYP2C19 341/4885
US-20090263405-A1 CpG OLIGONUCLEOTIDE PRODRUGS, COMPOSITIONS THEREOF AND ASSOCIATED THERAPEUTIC METHODS TYMP, DCTD, TET1 CYP1A2 1463/4885ALDH1A1 2623/4885CYP2C19 263/4885
US-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 CYP1A2 680/4885ALDH1A1 2035/4885CYP2C19 405/4885
US-20200308180-A1 DNA Polymerase IIIC Inhibitors and Use Thereof POLI, POLN, POLB CYP1A2 2630/4885ALDH1A1 3055/4885CYP2C19 1761/4885
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS CASP3, BCL3, ME3 CYP1A2 1898/4885ALDH1A1 1365/4885CYP2C19 2108/4885
US-20230250102-A1 DNA Polymerase IIIC Inhibitors and Use Thereof POLI, POLN, POLB CYP1A2 2555/4885ALDH1A1 3028/4885CYP2C19 1600/4885
US-20110118249-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, CCNY, RTF1 CYP1A2 2100/4885ALDH1A1 4142/4885CYP2C19 1549/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CYP1A2 3492/4885ALDH1A1 1726/4885CYP2C19 2647/4885

“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.