SCHEMBL13499600

SCHEMBL13499600

CN1CCN(Cc2ccc3ncccc3c2)CC1

nearest known ligand 0.90

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHKA P35790 3/20 0.90
MET P08581 6/20 0.57
KCNH2 Q12809 2/20 0.52
HRH3 Q9Y5N1 1/20 0.52
GNRHR P30968 1/20 0.49
MC4R P32245 1/20 0.49
MCHR1 Q99705 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
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
SCHEMBL27317684 0.87 CHKA (0.78) CHKAMETKCNH2HRH3KMT2A
SCHEMBL6741474 0.84 CHKA (0.66) CHKAMETMCHR1
SCHEMBL31429049 0.83 CHKA (0.65) CHKAMETKCNH2HRH3MCHR1
SCHEMBL31428708 0.83 CHKA (0.64) CHKAMETHRH3SMN1; SMN2
SCHEMBL14604923 0.83 CHKA (0.64) CHKAMETGNRHRSMN1; SMN2SLC6A4
SCHEMBL8320637 0.82 CHKA (0.64) CHKAMETKCNH2GNRHRADRA2A
SCHEMBL9590379 0.81 CHKA (0.62) CHKAMETKCNH2HRH3MCHR1
SCHEMBL31428922 0.79 CHKA (0.60) CHKAMETKCNH2HRH3GNRHR
SCHEMBL13499599 0.79 CHKA (0.88) CHKAHRH3MC4RKMT2A
SCHEMBL25728287 0.78 CHKA (0.59) CHKAKCNH2HRH3MC4RKMT2A

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-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 US disclosed
US-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 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-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 CHKA 663/4885MET 4373/4885KCNH2 1108/4885

“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.