SCHEMBL11176814

SCHEMBL11176814

Cc1cccc(Cl)c1NC1=NCCN1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 10/20 0.79
ADRA2C P18825 7/20 0.79
ADRA2B P18089 6/20 0.79
ADRA1A P35348 6/20 0.79
ADRA1D P25100 4/20 0.79
ADRA1B P35368 4/20 0.79
LMNA P02545 4/20 0.79
HTR1D P28221 4/20 0.79
NISCH Q9Y2I1 3/20 0.79
CYP2D6 P10635 2/20 0.79
HRH2 P25021 2/20 0.79
MEN1 O00255 1/20 0.79
SLC22A1 O15245 1/20 0.79
SLC22A3 O75751 1/20 0.79
HTR1A P08908 1/20 0.79
CYP2C9 P11712 1/20 0.79
CYP2C19 P33261 1/20 0.79
OPRK1 P41145 1/20 0.79
KMT2A Q03164 1/20 0.79
HIF1A Q16665 1/20 0.79

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
Nitric Acid SCHEMBL29355529 0.90 ADRA2A (0.64) ADRA2AADRA2CADRA2BADRA1AADRA1D
Clonidine SCHEMBL5983 0.89 ADRA2A (1.00) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL4760243 0.89 HTR1D (1.00) ADRA2AADRA2CADRA2BADRA1AADRA1D
Hydrochloric Acid SCHEMBL29384552 0.87 HTR1D (0.97) ADRA2AADRA2CADRA2BADRA1AADRA1D
Clonidine SCHEMBL2231324 0.87 ADRA2A (1.00) ADRA2AADRA2CADRA2BADRA1AADRA1D
Clonidine SCHEMBL613364 0.87 ADRA2A (0.97) ADRA2AADRA2CADRA2BADRA1AADRA1D
Clonidine SCHEMBL40752 0.87 ADRA2A (1.00) ADRA2AADRA2CADRA2BADRA1AADRA1D
Clonidine SCHEMBL9838990 0.87 ADRA2A (0.97) ADRA2AADRA2CADRA2BADRA1AADRA1D
Clonidine SCHEMBL18050245 0.84 ADRA2A (0.82) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL9920135 0.82 ADRA2A (0.79) ADRA2AADRA2CADRA2BADRA1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021019350-A1 COMPOSITION AND METHODS FOR THE TREATMENT OF ANAL AND RECTAL DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2021-02-04 WO disclosed
US-20160152572-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MUCOSITIS CELLIX BIO PRIVATE LIMITED (IN) 2016-06-02 US disclosed
US-7884122-B2 administering a2-adrenergic receptor agonist (clonidine) in hydrophilic matrix comprising hydroxypropyl methylcellulose ether, starch, and sodium lauryl sulfate; attention deficit disorder SHIONOGI PHARMA, INC. (US) 2011-02-08 US disclosed
US-20100209510-A1 Extended Release Formulation and Method of Treating Adrenergic Dysregulation SHIONOGI INC. 2010-08-19 US disclosed
US-20100063123-A1 EXTENDED RELEASE FORMULATION AND METHOD OF TREATING ADRENERGIC DYSREGULATION ADDRENEX PHARMACEUTICALS, INC. 2010-03-11 US disclosed
US-20090087490-A1 EXTENDED RELEASE FORMULATION AND METHOD OF TREATING ADRENERGIC DYSREGULATION ADDRENEX PHARMACEUTICALS, INC. (US) 2009-04-02 US disclosed
US-4389403-A HYPOTENSIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1983-06-21 US disclosed
EP-0037471-A1 1-Aroyl-2-phenylamino-2-imidazolines, their preparation and their pharmaceutical compositions BASF Aktiengesellschaft (DE) 1981-10-14 EP disclosed
EP-0004529-B1 TANTOMERIC ARYLAMINOIMIDAZOLINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR ANALGETIC APPLICATION CONTAINING THEM Lentia Gesellschaft mit beschränkter Haftung (DE) 1981-06-17 EP disclosed
EP-0004529-A2 Tantomeric arylaminoimidazoline derivatives, their preparation and pharmaceutical formulations for analgetic application containing them Lentia Gesellschaft mit beschränkter Haftung (DE) 1979-10-17 EP disclosed
US-4142051-A Arylaminoimidazoline derivatives CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1979-02-27 US disclosed
US-4094964-A IMMUNOASSAY, HAPTEN, ANTIGEN HOFFMANN-LA ROCHE INC. (US) 1978-06-13 US disclosed
US-4025607-A ANALGESICS, HYPOTENSIVES BOEHRINGER INGELHEIM GMBH (DT) 1977-05-24 US disclosed
US-3950523-A ANTIDEPRESSANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 US disclosed
US-3931216-A Process for the manufacture of 2-arylamino-2-imidazoline derivatives and their salts BOEHRINGER INGELHEIM GMBH (DT) 1976-01-06 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 (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-20100063123-A1 EXTENDED RELEASE FORMULATION AND METHOD OF TREATING ADRENERGIC DYSREGULATION ADRA2A, ADRB2, ADRB1 ADRA2A 1/4885ADRA2C 4/4885ADRA2B 5/4885
US-20090087490-A1 EXTENDED RELEASE FORMULATION AND METHOD OF TREATING ADRENERGIC DYSREGULATION ADRB2, ADRA2A, ADRB1 ADRA2A 2/4885ADRA2C 4/4885ADRA2B 5/4885
US-20160152572-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MUCOSITIS SI, MUC1, ALPI ADRA2A 1942/4885ADRA2C 977/4885ADRA2B 1580/4885
US-20100209510-A1 Extended Release Formulation and Method of Treating Adrenergic Dysregulation ADRB2, ADRA2A, ADRB1 ADRA2A 2/4885ADRA2C 4/4885ADRA2B 5/4885

“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.