SCHEMBL6216145

SCHEMBL6216145

c1ccc2c(Cc3c[nH]cn3)cncc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.48
▸ CYP11B2 P19099 2/20 0.48
▸ PDE10A Q9Y233 10/20 0.41
▸ ADRA2A P08913 3/20 0.40
▸ ADRA2B P18089 3/20 0.40
▸ ADRA2C P18825 3/20 0.40
▸ ADRA1D P25100 2/20 0.40
▸ ADRA1A P35348 2/20 0.40
▸ ADRA1B P35368 2/20 0.40
▸ PDE5A O76074 1/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HIF1A Q16665 1/20 0.34

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 SCHEMBL6213427 0.98 CYP11B1 (0.47) CYP11B1CYP11B2PDE10AADRA2AADRA2B
SCHEMBL6216103 0.75 PDE10A (0.40) PDE10AADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL6215054 0.74 PDE10A (0.39) PDE10AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6214957 0.72 LOXL2 (0.50) PDE10AADRA1DADRA1AADRA1BCYP1A2
SCHEMBL2296919 0.72 CYP11B1 (0.65) CYP11B1CYP11B2PDE10A
Hydrochloric Acid SCHEMBL6214760 0.71 LOXL2 (0.49) PDE10AADRA1DADRA1AADRA1BCYP1A2
SCHEMBL6214324 0.71 PLAU (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL13517442 0.70 PRKCZ (0.46) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL2103250 0.70 TSHR (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CASP1
Hydrochloric Acid SCHEMBL6216864 0.70 PLAU (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A

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 CYP11B1 206/4885CYP11B2 66/4885PDE10A 415/4885

“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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