SCHEMBL4601852

SCHEMBL4601852

CCN(CC)CCc1c[nH]c2cc(F)c(F)cc12

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.69
MPO P05164 5/20 0.69
HTR1D P28221 5/20 0.61
HTR2A P28223 5/20 0.60
HTR6 P50406 1/20 0.59
GPR84 Q9NQS5 1/20 0.57
HTR1B P28222 2/20 0.52
SLC6A4 P31645 1/20 0.47

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
SCHEMBL30877219 0.93 HTR2A (0.71) HTR1AMPOHTR1DHTR2AHTR6
SCHEMBL24693829 0.93 HTR2A (0.71) HTR1AMPOHTR1DHTR2AHTR6
SCHEMBL29206456 0.89 HTR2A (0.63) HTR1AMPOHTR1DHTR2AGPR84
SCHEMBL30877226 0.89 HTR2A (0.63) HTR1AMPOHTR1DHTR2AGPR84
SCHEMBL24692743 0.86 HTR2A (0.70) HTR1AMPOHTR1DHTR2AHTR6
SCHEMBL30483726 0.86 HTR2A (0.70) HTR1AMPOHTR1DHTR2AHTR6
SCHEMBL30483734 0.84 HTR1A (0.74) HTR1AMPOHTR1DHTR2AHTR6
SCHEMBL4633747 0.84 MPO (0.68) HTR1AMPOHTR1DHTR2AHTR6
SCHEMBL25747532 0.84 HTR1A (0.74) HTR1AMPOHTR1DHTR2AHTR6
SCHEMBL30877289 0.84 GPR84 (0.53) HTR1AMPOHTR1DHTR2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023115166-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-06-29 WO disclosed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 HTR1A 11/4885MPO 4034/4885HTR1D 14/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R HTR1A 8/4885MPO 4399/4885HTR1D 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.