SCHEMBL4250243

SCHEMBL4250243

CN1CCN(c2ccc(NC(=O)C3CCc4cc(F)cc(N5CCN(C)CC5)c4O3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 6/20 0.71
▸ KCNH2 Q12809 1/20 0.71
▸ HTR1A P08908 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ NPC1 O15118 9/20 0.43
▸ RAB9A P51151 9/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40

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
SCHEMBL5308451 0.96 HTR1B (0.78) HTR1BKCNH2HTR1AHTR1DHTR2A
SCHEMBL14529770 0.95 HTR1B (0.66) HTR1BKCNH2HTR1AHTR1DHTR2A
SCHEMBL4247598 0.95 HTR1B (0.65) HTR1BKCNH2HTR1AHTR1DHTR2A
SCHEMBL5311017 0.93 HTR1B (0.66) HTR1BKCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL4597945 0.93 HTR1B (0.66) HTR1BKCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL4246690 0.92 HTR1B (0.62) HTR1BKCNH2HTR1AHTR1DHTR2A
SCHEMBL4248665 0.92 HTR1B (0.62) HTR1BKCNH2HTR1AHTR1DHTR2A
SCHEMBL5309015 0.92 HTR1B (0.65) HTR1BKCNH2HTR1AHTR1DHTR2A
SCHEMBL5308292 0.91 HTR1B (0.63) HTR1BKCNH2HTR1AHTR1DHTR2A
SCHEMBL5308374 0.89 HTR1B (0.59) HTR1BKCNH2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945624-A1 CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS Astra Zeneca AB (SE) 2008-07-23 — — EP claimed
US-20070185107-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-08-09 — — US claimed
WO-2007053095-A1 CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 — — WO claimed
US-20090170851-A1 Chroman Compounds BERNSTEIN PETER 2009-07-02 — — US disclosed
US-20090170851-A1 Chroman Compounds BERNSTEIN PETER 2009-07-02 — — US disclosed
US-20090170851-A1 Chroman Compounds BERNSTEIN PETER 2009-07-02 — — US disclosed
EP-1945624-A1 CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS Astra Zeneca AB (SE) 2008-07-23 — — EP disclosed
US-20070185107-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-08-09 — — US disclosed
US-20070185107-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-08-09 — — US disclosed
US-20070185107-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-08-09 — — US disclosed
WO-2007053095-A1 CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 — — WO disclosed
WO-2007053095-A1 CHROMAN COMPOUNDS AS 5-HT1B ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 — — 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 (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-20090170851-A1 Chroman Compounds CYP3A43, CYP2C9, CYP2C8 HTR1B 611/4885KCNH2 1085/4885HTR1A 167/4885
US-20070185107-A1 Chroman compounds CYP3A43, CYP2C9, CYP2C8 HTR1B 611/4885KCNH2 1085/4885HTR1A 167/4885

“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.

Send feedback