SCHEMBL4891707

SCHEMBL4891707

COc1cc(C(F)(F)F)ccc1C1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.71
HTR2C P28335 9/20 0.56
HTR6 P50406 2/20 0.46
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
HTR2B P41595 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1E P28566 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
HTR7 P34969 1/20 0.45
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
PTK2 Q05397 1/20 0.45

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 SCHEMBL4728095 0.99 HTR2A (0.70) HTR2AHTR2CHTR6CHRNB2CHRNA4
SCHEMBL15317741 0.87 HTR2C (0.58) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL23348160 0.83 HTR2A (1.00) HTR2AHTR2CHTR6HTR2BHTR1A
SCHEMBL16455136 0.83 HTR2A (1.00) HTR2AHTR2CHTR6HTR2BHTR1A
SCHEMBL23348161 0.83 HTR2A (1.00) HTR2AHTR2CHTR6HTR2BHTR1A
Hydrochloric Acid SCHEMBL23326091 0.82 HTR2A (0.97) HTR2AHTR2CHTR6HTR2BHTR1A
Hydrochloric Acid SCHEMBL23326140 0.82 HTR2A (0.97) HTR2AHTR2CHTR6HTR2BHTR1A
Hydrochloric Acid SCHEMBL29775411 0.82 HTR2A (0.97) HTR2AHTR2CHTR6HTR2BHTR1A
Hydrochloric Acid SCHEMBL29775373 0.82 HTR2A (0.97) HTR2AHTR2CHTR6HTR2BHTR1A
Hydrochloric Acid SCHEMBL16446269 0.82 HTR2A (0.97) HTR2AHTR2CHTR6HTR2BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246140-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 US disclosed
US-20210246140-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 US disclosed
WO-2021155196-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 THE GENERAL HOSPITAL CORPORATION (US) 2021-08-05 WO disclosed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 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 (3 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-20210246140-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 GRM1, GRM2, GRIN1 HTR2A 329/4885HTR2C 390/4885HTR6 619/4885
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 HTR2A 1682/4885HTR2C 575/4885HTR6 697/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 HTR2A 1378/4885HTR2C 465/4885HTR6 847/4885

“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.