SCHEMBL6216103

SCHEMBL6216103

Cc1ncc2ccccc2c1Cc1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 5/20 0.40
▸ KDM4E B2RXH2 1/20 0.35
▸ GPR3 P46089 1/20 0.35
▸ XIAP P98170 1/20 0.35
▸ CYP2A6 P11509 2/20 0.34
▸ CYP1A2 P05177 2/20 0.32
▸ MYC P01106 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ ADRA2A P08913 2/20 0.31
▸ ADRA2B P18089 2/20 0.31
▸ ADRA2C P18825 2/20 0.31
▸ ADRA1D P25100 2/20 0.31
▸ ADRA1A P35348 2/20 0.31
▸ ADRA1B P35368 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL6215054 0.99 PDE10A (0.39) PDE10AKDM4EGPR3XIAPCYP2A6
SCHEMBL2103250 0.81 TSHR (0.41) KDM4ECYP2A6CYP1A2TDP1CYP2C9
SCHEMBL6216145 0.75 CYP11B1 (0.48) PDE10ACYP1A2ADRA2AADRA2BADRA2C
SCHEMBL14533532 0.74 KDM4E (0.44) PDE10AKDM4EGPR3XIAPCYP2A6
Hydrochloric Acid SCHEMBL6213427 0.73 CYP11B1 (0.47) PDE10ACYP1A2ADRA2AADRA2BADRA2C
SCHEMBL15414353 0.73 KDM4E (0.46) PDE10AKDM4EGPR3XIAPCYP2A6
SCHEMBL2103783 0.73 TAAR1 (0.46) CYP1A2ADRA1DADRA1AADRA1BCYP2C9
SCHEMBL6214324 0.70 PLAU (0.43) KDM4ECYP2A6NPC1ADRA2AADRA2B
SCHEMBL4629510 0.69 TAAR1 (0.40) KDM4ENPC1HSD17B10
Hydrochloric Acid SCHEMBL6216864 0.69 PLAU (0.42) KDM4ECYP2A6NPC1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975602-B1 IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF GRUENENTHAL GMBH (DE) 2005-06-15 — — EP disclosed
US-6777426-B2 SELECTIVE AGONISTS FOR HUMAN ALPHA 2 ADRENERGIC RECEPTORS; TREATING PAIN, MIGRAINE, HEADACHES, GLAUCOMA; 2-(INDAN-5-YL)AMINO-2-IMIDAZOLINE FOR EXAMPLE SYNAPTIC PHARMACEUTICAL CORPORATION 2004-08-17 — — US disclosed
EP-0975602-A4 IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF GRUENENTHAL GMBH (DE) 2003-01-22 — — EP disclosed
US-20020019390-A1 Imidazole and imidazoline derivatives and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-02-14 — — US disclosed
US-6294566-B1 ENANTIOMORPHS REVERSE AND ADRENERGIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-09-25 — — US disclosed
US-6093727-A A SELECTIVE AGONISTS FOR HUMAN ALPHA 2 RECEPTORS FOR TREATING DISORDERS AS HYPERTENSION, PAIN, GLAUCOMA, ALCOHOL AND DRUG WITHDRAWAL, ISCHEMIA, RHEUMATOID ARTHRITIS, MIGRAINE, COGNITIVE DEFICIENCY, SPASTICITY, DIARRHEA, NASAL CONGESTION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-25 — — US disclosed
EP-0975602-A1 IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-02-02 — — EP disclosed
US-5866579-A SELECTIVE AGONISTS FOR CLONED HUMAN ALPHA-2 ADRENERGIC RECEPTORS. SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-02-02 — — US disclosed
WO-1998046572-A1 IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-10-22 — — WO 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 (1 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-20020019390-A1 Imidazole and imidazoline derivatives and uses thereof ADRB2, ADRA2C, ADRB3 PDE10A 415/4885KDM4E 3834/4885GPR3 40/4885

“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.

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