SCHEMBL96849

SCHEMBL96849

[CH2]N1CCC(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 9/20 0.55
GRIN2B Q13224 3/20 0.53
DRD2 P14416 1/20 0.53
SIGMAR1 Q99720 3/20 0.50
CYP2D6 P10635 2/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49
APEX1 P27695 1/20 0.49
BLM P54132 1/20 0.49
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49

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
SCHEMBL2075776 0.87 SLC18A3 (0.47) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
SCHEMBL18773915 0.78 SLC18A3 (0.52) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
SCHEMBL2077344 0.78 TP53 (0.47) CYP1A2
SCHEMBL27612694 0.78 ESR2 (0.61) CYP2D6CYP2C9
SCHEMBL18123291 0.77 GRIN2B (0.56) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
SCHEMBL11062207 0.77 SLC18A3 (0.55) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
SCHEMBL19101372 0.77 SLC18A3 (0.55) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
SCHEMBL13117183 0.77 SLC18A3 (0.55) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
SCHEMBL1477625 0.77 SLC18A3 (0.58) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6
SCHEMBL14252408 0.77 SLC18A3 (0.55) SLC18A3GRIN2BDRD2SIGMAR1CYP2D6

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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
US-20080293687-A1 Benzamide Compounds ASTRAZENECA AB (SE) 2008-11-27 US claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
CN-101052620-A Benzamide compound ASTRAZENECA AB (SE) 2007-10-10 CN claimed
EP-0483772-B1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-09-13 EP claimed
US-5071636-A Polyaminedithiol compounds; nuclear imaging of regional cerebral blood flow NIHON MEDI-PHYSICS CO., LTD. (JP) 1991-12-10 US claimed
EP-0322876-A2 Chelating compounds and their use NIHON MEDI-PHYSICS CO., LTD. (JP) 1989-07-05 EP claimed
US-10071095-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of neurological and psychiatric disorders Janssen Pharmaceuticals, Inc. (US) 2018-09-11 US disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
US-20160067245-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2016-03-10 US disclosed
US-9226930-B2 1,2,4-triazolo [4,3-a] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals, Inc. (US) 2016-01-05 US disclosed
EP-0064707-B1 4-(4-PHENYL-1-PIPERIDINYL)METHYL-5-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-07-23 EP disclosed
EP-0064706-B1 5-(4-PHENYL-1-PIPERIDINYL)METHYL-2,3-DIHYDRO-2-OXO-1H-IMIDAZOLE-4-CARBOXYLIC ACID DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1985-07-03 EP disclosed
EP-0064707-A1 4-(4-Phenyl-1-piperidinyl)methyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-17 EP disclosed
EP-0064706-A1 5-(4-Phenyl-1-piperidinyl)methyl-2,3-dihydro-2-oxo-1H-imidazole-4-carboxylic acid derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-17 EP disclosed
US-4329470-A CORDIOTONIC, HYPOTENSIVE, ANTITHROMBOSIS MERRELL DOW PHARMACEUTICALS INC. (US) 1982-05-11 US disclosed
US-4329471-A CARDIOTONICS, HYPOTENSIVE AGENTS, AND ANTITHROMBOTIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1982-05-11 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 (6 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-10071095-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of neurological and psychiatric disorders GRM2, GRM1, GRIA2 SLC18A3 243/4885GRIN2B 11/4885DRD2 195/4885
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C SLC18A3 206/4885GRIN2B 11/4885DRD2 202/4885
US-20160067245-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders GRM2, GRM1, GRIN2C SLC18A3 206/4885GRIN2B 11/4885DRD2 202/4885
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH SLC18A3 2421/4885GRIN2B 432/4885DRD2 889/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH SLC18A3 2421/4885GRIN2B 432/4885DRD2 889/4885
US-20080293687-A1 Benzamide Compounds HDAC1, HDAC11, HDAC2 SLC18A3 4803/4885GRIN2B 1321/4885DRD2 2923/4885

“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.