SCHEMBL6214957

SCHEMBL6214957

c1ccc2c(Cc3c[nH]cn3)ccnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.50
▸ HTR1A P08908 2/20 0.44
▸ ADRA1D P25100 2/20 0.44
▸ ADRA1A P35348 2/20 0.44
▸ ADRA1B P35368 2/20 0.44
▸ NCF1 P14598 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ FERMT2 Q96AC1 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.37
▸ ADRB2 P07550 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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 SCHEMBL6214760 0.98 LOXL2 (0.49) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6214324 0.73 PLAU (0.43) ADRA1DADRA1AADRA1BNCF1CYP3A4
Hydrochloric Acid SCHEMBL6216864 0.72 PLAU (0.42) ADRA1DADRA1AADRA1BNCF1KDM4E
SCHEMBL6216145 0.72 CYP11B1 (0.48) ADRA1DADRA1AADRA1BPDE10ACYP3A4
SCHEMBL31243256 0.72 LOXL2 (0.60) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL7073831 0.72 LOXL2 (0.60) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL11047730 0.71 TAAR1 (0.36) HTR1AKDM4EALDH1A1LMNANPSR1
SCHEMBL2103781 0.71 TAAR1 (0.41) ALDH1A1
SCHEMBL6972728 0.71 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL11048352 0.71 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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 LOXL2 3663/4885HTR1A 406/4885ADRA1D 7/4885

“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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