SCHEMBL450127

SCHEMBL450127

c1ccc(CCC2COCCO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL9427165 0.87 MEN1 (0.51) DRD4MEN1KMT2ASLC6A2SLC6A4
SCHEMBL24137898 0.85 MEN1 (0.62) DRD4MEN1KMT2ASLC6A2SLC6A4
SCHEMBL52143 0.85 MEN1 (0.62) DRD4MEN1KMT2ASLC6A2SLC6A4
SCHEMBL2077308 0.85 MEN1 (0.62) DRD4MEN1KMT2ASLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL28002354 0.83 MEN1 (0.61) DRD4MEN1KMT2ASLC6A2SLC6A4
SCHEMBL8485 0.81 SLC6A2 (0.42) DRD4SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL26095542 0.81 DRD4 (0.58) DRD4MEN1KMT2ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL12503316 0.80 KDM4E (0.41) DRD4SLC6A2SLC6A4SLC6A3TAAR1
Ammonia Solution, Strong SCHEMBL27469603 0.80 SLC6A2 (0.41) DRD4SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL20184270 0.77 USP2 (0.40) DRD4MEN1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160263142-A1 USE OF A3 ADENOSINE RECEPTOR AGONIST IN OSTEOARTHRITIS TREATMENT CAN-FITE BIOPHARMA LTD. (IL) 2016-09-15 US claimed
US-9387220-B2 Method for inducing hepatocyte proliferation and uses thereof CAN-FITE BIOPHARMA LTD. (IL) 2016-07-12 US claimed
EP-1945211-B1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LTD (GB) 2015-10-21 EP claimed
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 EP claimed
US-20140364388-A1 METHOD FOR INDUCING HEPATOCYTE PROLIFERATION AND USES THEREOF CAN-FITE BIOPHARMA LTD. (IL) 2014-12-11 US claimed
US-8846635-B2 Method for inducing hepatocyte proliferation and uses thereof CAN-FITE BIOPHARMA LTD. (IL) 2014-09-30 US claimed
EP-2227234-B1 METHOD FOR INDUCING HEPATOCYTE PROLIFERATION AND USES THEREOF CAN FITE BIOPHARMA LTD (IL) 2014-05-07 EP claimed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 US claimed
US-20130109645-A1 ADENOSINE RECEPTOR AGONISTS FOR THE TREATMENT AND PREVENTION OF VASCULAR OR JOINT CAPSULE CALCIFICATION DISORDERS The united States of America,as represented by Secretary,Dept.,of Health and Human Services (US) 2013-05-02 US claimed
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2012-09-13 US claimed
EP-0556310-B1 QUINAZOLINES DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY PFIZER (US) 1995-07-05 EP claimed
EP-0613477-A1 TRIAZINE DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY PFIZER INC. (US) 1994-09-07 EP claimed
EP-0556310-A1 QUINAZOLINES DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY. PFIZER (US) 1993-08-25 EP claimed
WO-1993010116-A1 TRIAZINE DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY PFIZER INC. (US) 1993-05-27 WO claimed
EP-0220735-B1 3(2H)-PYRIDAZINONE DERIVATIVES, A PROCESS AND INTERMEDIATES FOR PREPARING THEM AND MEDICAMENTS CONTAINING THEM AND/OR OTHER 3(2H)-PYRIDAZINONE DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1993-05-19 EP claimed
CN-1061411-A Be used to strengthen the active quinazoline derivant of antineoplastic agent PFIZER (US) 1992-05-27 CN claimed
WO-1992007844-A1 QUINAZOLINES DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY PFIZER INC. (US) 1992-05-14 WO claimed
US-4826845-A HYPOTENSIVE, ADRENERGIC BLOCKING AGENTS RICHTER GEDEON VEGYESZETI GYAR T.R. (HU) 1989-05-02 US claimed
EP-0220735-A2 3(2H)-pyridazinone derivatives, a process and intermediates for preparing them and medicaments containing them and/or other 3(2H)-pyridazinone derivatives RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1987-05-06 EP claimed
US-4349549-A Anti-hypertensive 1-substituted spiro(piperidine-oxobenzoxazine)s SYNTEX (U.S.A.) INC. (US) 1982-09-14 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20140364388-A1 METHOD FOR INDUCING HEPATOCYTE PROLIFERATION AND USES THEREOF HGF, HCAR3, HNF4A DRD4 2505/4885MEN1 4262/4885KMT2A 2651/4885
US-20160263142-A1 USE OF A3 ADENOSINE RECEPTOR AGONIST IN OSTEOARTHRITIS TREATMENT ADORA3, ADORA2A, ADORA1 DRD4 1735/4885MEN1 2844/4885KMT2A 2622/4885
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL DRD4 792/4885MEN1 1394/4885KMT2A 2403/4885
US-20130109645-A1 ADENOSINE RECEPTOR AGONISTS FOR THE TREATMENT AND PREVENTION OF VASCULAR OR JOINT CAPSULE CALCIFICATION DISORDERS NT5E, NT5C2, NT5C3B DRD4 3280/4885MEN1 1736/4885KMT2A 3895/4885

“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.