SCHEMBL6855299

SCHEMBL6855299

C[C@@H]1CNC[C@H](C)N1c1ncccn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.42
HTR2C P28335 17/20 0.42
HTR2B P41595 17/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KCNH2 Q12809 2/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 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
SCHEMBL6855304 1.00 HTR2A (0.42) HTR2AHTR2CHTR2BKDM4EALDH1A1
Hydrochloric Acid SCHEMBL2896840 0.98 KDM4E (0.42) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL29327258 0.77 PLD1 (0.47) HTR2AHTR2CHTR2BALDH1A1CHRNB2
SCHEMBL16933653 0.76 HCRTR1 (0.44) HTR2AHTR2CHTR2B
SCHEMBL16933651 0.76 HCRTR1 (0.44) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL29731417 0.76 HTR2A (0.34) HTR2AHTR2CHTR2BKCNH2
SCHEMBL30777531 0.75 ROCK2 (0.42) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL23744679 0.74 HTR2A (0.46) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL31713174 0.74 HTR2A (0.46) HTR2AHTR2CHTR2BKCNH2
SCHEMBL26087038 0.74 HTR2A (0.46) HTR2AHTR2CHTR2BKDM4EALDH1A1

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
US-6797824-B2 UEFUL IN THE DIAGNOSIS AND THERAPY OF AFFECTIVE DISORDERS SUCH AS SCHIZOPHRENIA AND DEPRESSION AS WELL AS CERTAIN MOVEMENT DISORDERS SUCH AS PARKINSONISM NEUROGEN CORPORATION 2004-09-28 US disclosed
US-20030018025-A1 Certain 4-aminomethyl-2-substituted imidazole derivatives and 2-aminomethyl-4-substituted imidazole derivatives: new classes of dopamine receptor subtype specific ligands NEUROGEN CORPORATION, CORPORATION OF THE STATE OF DELAWARE 2003-01-23 US disclosed
US-20020143044-A1 Certain 4-aminomethyl-2-substituted imidazole derivatives and 2-aminomethyl-4-substituted imidazole derivatives; new classes of dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-10-03 US disclosed
US-6358955-B1 SCHIZOPHRENIA, PSYCHOLOGICAL DISORDERS, PARKINSON*S DISEASE; ANTIDEPRESSANTS NEUROGEN CORPORATION 2002-03-19 US disclosed
US-6069251-A HIGHLY SELECTIVE PARTIAL AGONISTS OR ANTAGONISTS AT BRAIN DOPAMINE RECEPTOR SUBTYPES OR PRODRUGS; DIAGNOSIS AND TREATMENT SCHIZOPHRENIA; ANTIDEPRESSANTS; CERTAIN MOVEMENT DISORDERS SUCH AS PARKINSONISM. NEUROGEN CORPORATION (US) 2000-05-30 US disclosed
US-5712392-A DOPAMINERGIC AGENTS TREATING SCHIZOPHRENIA, ANTIDEPRESSANTS FOR PARKINSON'S DISEASE NEUROGEN CORPORATION (US) 1998-01-27 US disclosed
US-5656762-A TREATING SCHIZOPHRENIA, DEPRESSION, PARKINSON*S DISEASE NEUROGEN CORPORATION (US) 1997-08-12 US disclosed
US-5646281-A FOR USE IN THE DIAGNOSIS AND TREATMENT OF SCHIZOPHRENIA, DEPRESSION AND PARKINSON*S DISEASE NEUROGEN CORPORATION (US) 1997-07-08 US disclosed
US-5633377-A DIAGNOSIS, THERAPY OF SCHIZOPHRENIA, DEPRESSION, PARKINSON'SDISEASE NEUROGEN CORPORATION (US) 1997-05-27 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 (2 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-20030018025-A1 Certain 4-aminomethyl-2-substituted imidazole derivatives and 2-aminomethyl-4-substituted imidazole derivatives: new classes of dopamine receptor subtype specific ligands CHRNA4, GRIA4, OPRM1 HTR2A 58/4885HTR2C 10/4885HTR2B 55/4885
US-20020143044-A1 Certain 4-aminomethyl-2-substituted imidazole derivatives and 2-aminomethyl-4-substituted imidazole derivatives; new classes of dopamine receptor subtype specific ligands DRD2, OPRM1, OPRD1 HTR2A 16/4885HTR2C 7/4885HTR2B 25/4885

“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.