SCHEMBL3057074

SCHEMBL3057074

CCOc1ccccc1CCNC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.53
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 4/20 0.53
TAAR1 Q96RJ0 3/20 0.52
HRH1 P35367 1/20 0.50
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL24712708 0.89 HRH1 (0.55) L3MBTL1MAPTNPSR1ALDH1A1HRH1
SCHEMBL21243275 0.87 ALDH1A1 (0.58) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL2909676 0.86 HRH1 (0.55) L3MBTL1MAPTNPSR1TAAR1HRH1
SCHEMBL2910225 0.84 HRH1 (0.58) L3MBTL1MAPTTAAR1HRH1TP53
SCHEMBL24713016 0.84 ALDH1A1 (0.55) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL681494 0.81 MTNR1A (0.62) MAPTALDH1A1TAAR1GAA
SCHEMBL1254288 0.81 ALDH1A1 (0.60) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL7645845 0.81 HRH1 (0.54) L3MBTL1ALDH1A1TAAR1HRH1TP53
SCHEMBL7650855 0.81 HTR1A (0.67) L3MBTL1ALDH1A1TAAR1HRH1TP53
SCHEMBL24713021 0.81 ALDH1A1 (0.49) L3MBTL1MAPTNPSR1ALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267303-A1 Compounds and Methods for Treating or Preventing Bacterial Infections BAYLOR COLLEGE OF MEDICINE 2022-08-25 US disclosed
WO-2020257734-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING, AMELIORATING, OR PREVENTING BACTERIAL INFECTIONS BAYLOR COLLEGE OF MEDICINE (US) 2020-12-24 WO disclosed
US-8394979-B2 Process for preparing cycloplatinated platinum complexes, platinum complexes prepared by this process and the use thereof RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2013-03-12 US disclosed
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2010-10-21 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 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 (6 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 L3MBTL1 2659/4885MAPT 1965/4885NPSR1 577/4885
US-20220267303-A1 Compounds and Methods for Treating or Preventing Bacterial Infections OXA1L, MMP8, OGG1 L3MBTL1 120/4885MAPT 4642/4885NPSR1 4123/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 L3MBTL1 2659/4885MAPT 1965/4885NPSR1 577/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE L3MBTL1 2341/4885MAPT 1584/4885NPSR1 1430/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 L3MBTL1 684/4885MAPT 82/4885NPSR1 1442/4885
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF THPO, MCL1, PPOX L3MBTL1 2473/4885MAPT 2198/4885NPSR1 4533/4885

“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.