SCHEMBL2160352

SCHEMBL2160352

O=C=N[C@H]1C[C@@H]1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.43
MAOA P21397 7/20 0.43
HTR2C P28335 7/20 0.43
KDM1A O60341 5/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2B6 P20813 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
LMNA P02545 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2A6 P11509 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL660964 1.00 MAOB (0.43) MAOBMAOAHTR2CKDM1ACYP2C19
SCHEMBL134488 1.00 MAOB (0.43) MAOBMAOAHTR2CKDM1ACYP2C19
SCHEMBL5016297 1.00 MAOB (0.43) MAOBMAOAHTR2CKDM1ACYP2C19
SCHEMBL1870104 1.00 MAOB (0.43) MAOBMAOAHTR2CKDM1ACYP2C19
SCHEMBL12143680 1.00 MAOB (0.43) MAOBMAOAHTR2CKDM1ACYP2C19
SCHEMBL7731515 0.90 MAOB (0.36) MAOBMAOAHTR2CKDM1ACYP2C19
SCHEMBL7731519 0.90 MAOB (0.36) MAOBMAOAHTR2CKDM1ACYP2C19
SCHEMBL10527956 0.81 FFAR1 (0.41) HTR2CCYP2C19CYP1A2CYP2C9CYP3A4
SCHEMBL10529544 0.81 SLC9A1 (0.41) HTR2CSLC6A2SLC6A3SLC9A1HTR2B
SCHEMBL10529540 0.81 SLC9A1 (0.41) HTR2CSLC6A2SLC6A3SLC9A1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250145561-A1 4-SUBSTITUTED-PHENYL ACETAMIDES AND ARYLUREAS AS AGONISTS FOR THE ORPHAN RECEPTOR GPR88 RESEARCH TRIANGLE INSTITUTE (US) 2025-05-08 US disclosed
EP-4469431-A1 4-SUBSTITUTED-PHENYL ACETAMIDES AND ARYLUREAS AS AGONISTS FOR THE ORPHAN RECEPTOR GPR88 Research Triangle Institute (US) 2024-12-04 EP disclosed
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION JNANA THERAPEUTICS INC. 2024-06-27 US disclosed
WO-2023146816-A1 4-SUBSTITUTED-PHENYL ACETAMIDES AND ARYLUREAS AS AGONISTS FOR THE ORPHAN RECEPTOR GPR88 RESEARCH TRIANGLE INSTITUTE (US) 2023-08-03 WO disclosed
EP-2334683-B1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS MSD ITALIA SRL (IT) 2017-03-22 EP disclosed
US-8530652-B2 Pyrrolopyrazoles, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2013-09-10 US disclosed
US-8470823-B2 Saturated bicyclic heterocyclic derivatives as SMO antagonists INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-06-25 US disclosed
US-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Instituto di Ricerche di Biologia Molecolare P. Ang 2011-07-28 US disclosed
EP-1824829-B1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
US-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-03-06 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-20080058356-A1 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists ADORA2A, ADORA3, ADORA1 MAOB 226/4885MAOA 210/4885HTR2C 20/4885
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION SLC18A2, SLC6A19, SLC1A1 MAOB 579/4885MAOA 612/4885HTR2C 1655/4885
US-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS SMO, SHH, GLI1 MAOB 3191/4885MAOA 3594/4885HTR2C 628/4885
US-20250145561-A1 4-SUBSTITUTED-PHENYL ACETAMIDES AND ARYLUREAS AS AGONISTS FOR THE ORPHAN RECEPTOR GPR88 GPR88, GPR84, GPR139 MAOB 1329/4885MAOA 727/4885HTR2C 66/4885

“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.