SCHEMBL20809490

SCHEMBL20809490

Cc1cc(C)c2occ(C3CCNCC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.46
KCNA3 P22001 1/20 0.36
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 3/20 0.35
HTR1A P08908 2/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
MET P08581 1/20 0.34
HTR6 P50406 1/20 0.33
PSMB5 P28074 1/20 0.33
ADRB2 P07550 1/20 0.33

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
Hydrochloric Acid SCHEMBL20135301 0.98 HTR2C (0.47) HTR2CKCNA3SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL29688593 0.98 HTR2C (0.47) HTR2CKCNA3SLC6A2SLC6A4SLC6A3
SCHEMBL29688968 0.76 HTR2C (0.46) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL20809452 0.76 HTR2C (0.46) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL4503187 0.76 HTR2C (0.46) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL20809221 0.75 HTR2C (0.49) HTR2CSLC6A2SLC6A4HTR1AGABRA1
Hydrochloric Acid SCHEMBL20135264 0.75 HTR2C (0.47) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
Hydrochloric Acid SCHEMBL8916365 0.75 HTR2C (0.47) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
Hydrochloric Acid SCHEMBL20135274 0.74 HTR2C (0.50) HTR2CSLC6A2SLC6A4HTR1AGABRA1
Hydrochloric Acid SCHEMBL29688677 0.74 HTR2C (0.50) HTR2CSLC6A2SLC6A4HTR1AGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 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 (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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 HTR2C 3534/4885KCNA3 4493/4885SLC6A2 4833/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 HTR2C 3675/4885KCNA3 4372/4885SLC6A2 4812/4885

“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.