SCHEMBL5585636

SCHEMBL5585636

C[C@H]1CNCCN1c1cc(C(F)(F)F)cc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.46
HTR2A P28223 6/20 0.39
KCNH2 Q12809 1/20 0.39
ADRB1 P08588 2/20 0.38
KHK P50053 1/20 0.38
HTR2B P41595 3/20 0.37
GSK3B P49841 2/20 0.37

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
SCHEMBL30609686 0.83 HTR2C (0.48) HTR2CHTR2AHTR2BGSK3B
SCHEMBL17884815 0.83 HTR2C (0.48) HTR2CHTR2AHTR2BGSK3B
SCHEMBL5630939 0.77 ADRB1 (0.58) HTR2CHTR2AADRB1HTR2B
SCHEMBL5631573 0.77 ADRB1 (0.58) HTR2CHTR2AADRB1HTR2B
SCHEMBL5630946 0.77 ADRB1 (0.58) HTR2CHTR2AADRB1HTR2B
SCHEMBL5585237 0.77 HTR2C (0.50) HTR2CHTR2AKCNH2KHKHTR2B
SCHEMBL5585267 0.77 HTR2C (0.50) HTR2CHTR2AKCNH2KHKHTR2B
Hydrochloric Acid SCHEMBL5632032 0.76 ADRB1 (0.57) HTR2CHTR2AADRB1HTR2B
Hydrochloric Acid SCHEMBL5631678 0.76 ADRB1 (0.57) HTR2CHTR2AADRB1HTR2B
Hydrochloric Acid SCHEMBL5631684 0.76 ADRB1 (0.57) HTR2CHTR2AADRB1HTR2B

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-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 US disclosed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 US disclosed
EP-1335907-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2003-08-20 EP disclosed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 US disclosed
WO-2002040456-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 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-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 HTR2C 916/4885HTR2A 1308/4885KCNH2 2992/4885

“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.