SCHEMBL11524917

SCHEMBL11524917

C1=C(CN2CCCCC2)CCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.52
HTR1A P08908 2/20 0.52
HTR2A P28223 2/20 0.52
HTR7 P34969 2/20 0.52
DRD3 P35462 2/20 0.52
HTR2B P41595 2/20 0.52
DRD2 P14416 1/20 0.52
HRH1 P35367 1/20 0.52
MCHR1 Q99705 6/20 0.50
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ADRA2A P08913 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL14454750 0.98 HTR2C (0.54) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL14454751 0.90 HTR2A (0.46) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL14454755 0.86 L3MBTL1 (0.51) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL11730281 0.84 HTR1A (0.54) HTR2CHTR1AHTR2AHTR7DRD3
Hydrochloric Acid SCHEMBL8536805 0.83 HTR1A (0.68) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL14454756 0.82 HTR1A (0.71) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL11633665 0.81 DRD4 (0.53) HTR2CHTR1AHTR2AHTR7DRD3
Hydrochloric Acid SCHEMBL8536660 0.81 HTR1A (0.69) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL14454749 0.79 MEN1 (0.50) HTR2CHTR1AHTR2AHTR7DRD3
SCHEMBL5583088 0.78 MCHR1 (0.50) HTR2CDRD2MCHR1HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-4148897-A VASODILATOR, CEREBRAL BLOOD FLOW INCREASING TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-04-10 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 (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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 HTR2C 195/4885HTR1A 73/4885HTR2A 158/4885

“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.