SCHEMBL9612263

SCHEMBL9612263

ClNCCc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.67
TRPM8 Q7Z2W7 1/20 0.67
MTNR1A P48039 1/20 0.66
MTNR1B P49286 1/20 0.66
GPR84 Q9NQS5 1/20 0.65
MMP9 P14780 1/20 0.63
MMP8 P22894 1/20 0.63
MMP14 P50281 1/20 0.63
TSHR P16473 1/20 0.61
GFER P55789 1/20 0.59
HSD17B10 Q99714 1/20 0.59
SLC6A4 P31645 3/20 0.58
SNCA P37840 4/20 0.56
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
DRD2 P14416 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
SLC6A2 P23975 1/20 0.55
ADRA1D P25100 1/20 0.55

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
SCHEMBL15791145 0.86 HTR2A (0.69) HTR2ATRPM8MTNR1AMTNR1BGPR84
SCHEMBL1120761 0.86 KDM4E (0.68) HTR2ATRPM8MTNR1AMTNR1BGPR84
SCHEMBL10310234 0.83 MTNR1A (0.68) HTR2ATRPM8MTNR1AMTNR1BGPR84
SCHEMBL14297488 0.83 HTR2C (0.73) HTR2ATSHRSLC6A4HTR1AHTR1D
SCHEMBL25004737 0.82 MTNR1A (0.64) HTR2ATRPM8MTNR1AMTNR1BGPR84
SCHEMBL31292987 0.82 MTNR1A (0.64) HTR2ATRPM8MTNR1AMTNR1BGPR84
Iodide SCHEMBL30672189 0.81 MTNR1A (0.62) HTR2ATRPM8MTNR1AMTNR1BGPR84
Iodide SCHEMBL26662755 0.81 MTNR1A (0.62) HTR2ATRPM8MTNR1AMTNR1BGPR84
Hydrochloric Acid SCHEMBL26662832 0.81 MTNR1A (0.62) HTR2ATRPM8MTNR1AMTNR1BGPR84
SCHEMBL30724496 0.80 HTR2A (1.00) HTR2ATRPM8GPR84TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160340354-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC. 2016-11-24 US disclosed
US-9351964-B2 Methods for treating cancer and non-neoplastic conditions PTC THERAPEUTICS, INC. (US) 2016-05-31 US disclosed
US-20120202763-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC (US) 2012-08-09 US disclosed
US-20120136154-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES PTC THERAPEUTICS, INC. 2012-05-31 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 (3 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-20160340354-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS HDGF, POLRMT, VEGFA HTR2A 4569/4885TRPM8 4743/4885MTNR1A 2694/4885
US-20120202763-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS HDGF, POLRMT, VEGFA HTR2A 4569/4885TRPM8 4743/4885MTNR1A 2694/4885
US-20120136154-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES TPH1, TPH2, HTR1B HTR2A 49/4885TRPM8 4828/4885MTNR1A 1370/4885

“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.