SCHEMBL15722844

SCHEMBL15722844

O=C(C1CCC(CF)CC1)N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.80
ADRA1A P35348 6/20 0.80
SMN1; SMN2 Q16637 2/20 0.65
DRD4 P21917 5/20 0.62
ADRA1B P35368 5/20 0.62
ADRA1D P25100 4/20 0.62
HTR7 P34969 3/20 0.62
HTR1B P28222 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
TSHR P16473 1/20 0.62
HTR2B P41595 2/20 0.61
HTR2A P28223 1/20 0.61
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL14821959 1.00 HTR1A (0.80) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL15709818 1.00 HTR1A (0.80) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL15722864 1.00 HTR1A (0.80) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL16709203 0.91 HTR1A (0.80) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL8013725 0.89 HTR1A (1.00) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL15722822 0.89 HTR1A (0.76) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
Hydrochloric Acid SCHEMBL29989604 0.88 HTR1A (0.98) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL12677613 0.88 HTR1A (1.00) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL12677614 0.88 HTR1A (1.00) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL12677606 0.88 HTR1A (1.00) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B

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-20150133663-A1 NOVEL SYNTHESIS METHOD GE HEALTHCARE LIMITED (GB) 2015-05-14 US disclosed
US-20150133663-A1 NOVEL SYNTHESIS METHOD GE HEALTHCARE LIMITED (GB) 2015-05-14 US disclosed
US-20140140928-A1 5HT1A ANTAGONIST USEFUL FOR IN VIVO IMAGING GE HEALTHCARE LIMITED (GB) 2014-05-22 US disclosed
US-20140140928-A1 5HT1A ANTAGONIST USEFUL FOR IN VIVO IMAGING GE HEALTHCARE LIMITED (GB) 2014-05-22 US disclosed
WO-2013041682-A1 NOVEL SYNTHESIS METHOD GE HEALTHCARE LIMITED (GB) 2013-03-28 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-20150133663-A1 NOVEL SYNTHESIS METHOD HTR1A, HTR5A, TPH1 HTR1A 1/4885ADRA1A 137/4885SMN1; SMN2 1095/4885
US-20140140928-A1 5HT1A ANTAGONIST USEFUL FOR IN VIVO IMAGING HTR1A, HTR1E, HTR5A HTR1A 1/4885ADRA1A 30/4885SMN1; SMN2 1716/4885

“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.