SCHEMBL4960730

SCHEMBL4960730

C=CC[N]C(Cl)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2A P28223 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.32
OPRD1 P41143 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH1 P35367 1/20 0.30
MTOR P42345 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL2587221 0.76 MIF (0.42) CYP2C19SMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL488830 0.76 CYP2C19 (0.39) TSHRCYP2C19SMN1; SMN2HPGDALDH1A1
SCHEMBL4957513 0.74 TSHR (0.46) TSHRHTR2ATAAR1ATMHRH1
Benzene SCHEMBL28136546 0.69 TSHR (0.50) TSHRCYP2C19SMN1; SMN2HPGDALDH1A1
SCHEMBL109223 0.69 TSHR (0.50) TSHRCYP2C19SMN1; SMN2HPGDALDH1A1
SCHEMBL2923052 0.68 CYP2C19 (0.52) TSHRCYP2C19SMN1; SMN2ALDH1A1KDM4E
SCHEMBL30724553 0.67 TSHR (0.48) TSHRCYP2C19SMN1; SMN2HPGDALDH1A1
Hydrochloric Acid SCHEMBL11666238 0.67 TSHR (0.48) TSHRCYP2C19SMN1; SMN2HPGDALDH1A1
Ammonia Solution, Strong SCHEMBL9691228 0.67 TSHR (0.48) TSHRCYP2C19SMN1; SMN2HPGDALDH1A1
Ethylene SCHEMBL27607233 0.67 TSHR (0.48) TSHRCYP2C19SMN1; SMN2HPGDALDH1A1

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
WO-2001041763-A1 TREATMENT OF ADDICTION DISORDERS UNIVERSITY OF CINCINNATI (US) 2001-06-14 WO claimed
US-20080089859-A1 ADMINISTRATION OF SLEEP RESTORATIVE AGENTS HOLMAN ANDREW 2008-04-17 US disclosed
EP-1311251-A2 USE OF DOPAMINE D2/D3 RECEPTOR AGONISTS TO TREAT FIBROMYALGIA Holman, Andrew J. (US) 2003-05-21 EP disclosed
US-20020165246-A1 Administration of sleep restorative agents HOLMAN ANDREW (US) 2002-11-07 US disclosed
WO-2002069974-A1 ADMINISTRATION OF SLEEP RESTORATIVE AGENTS HOLMAN ANDREW (US) 2002-09-12 WO disclosed
WO-2002005797-A2 USE OF DOPAMINE D2/D3 RECEPTOR AGONISTS TO TREAT FIBROMYALGIA HOLMAN ANDREW J (US) 2002-01-24 WO disclosed
US-6300365-B1 ADMINISTERING NON-ERGOT DOPAMINE D.SUB.2 /D.SUB.3 RECEPTOR AGONIST OR ACID ADDITION SALT COMPRISING 3(H)-INDOLONE COMPOUND FOR THERAPY OF FIBROMYALGIA INMEDIX, LLC 2001-10-09 US disclosed
US-6277875-B1 FIBROMYALGIA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2001-08-21 US disclosed
WO-2001041763-A1 TREATMENT OF ADDICTION DISORDERS UNIVERSITY OF CINCINNATI (US) 2001-06-14 WO disclosed
US-4886812-A REGULATING DOPAMINE CONCENTRATION; PARKINSON DISEASE, HYPOTENSIVE AGENT, SCHIZOPHRENIA DR. KARL THOMAE GMBH (DE) 1989-12-12 US disclosed
US-4843086-A HYPOTENSIVE AGENTS, SCHIZOPHRENIA, PARKINSON'S DISEASE BOEHRINGER INGELHEIM KG (DE) 1989-06-27 US disclosed
US-4731374-A PARKINSON*S DISEASE DR. KARL THOMAE GMBH (DE) 1988-03-15 US disclosed
EP-0186087-A1 Tetrahydro-benzothiazoles, their production and their use as intermediates or drugs Dr. Karl Thomae GmbH (DE) 1986-07-02 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 (2 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-20020165246-A1 Administration of sleep restorative agents GAP43, PER2, PSAP TSHR 4696/4885CYP2C19 4104/4885SMN1; SMN2 247/4885
US-20080089859-A1 ADMINISTRATION OF SLEEP RESTORATIVE AGENTS GAP43, PER2, PSAP TSHR 4706/4885CYP2C19 4088/4885SMN1; SMN2 247/4885

“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.