SCHEMBL13595237

SCHEMBL13595237

c1ccc(-c2ccc3c(c2)CN2CCNCC2CO3)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
PIK3CA P42336 1/20 0.38
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
GPR142 Q7Z601 2/20 0.36
TAAR1 Q96RJ0 1/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 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 SCHEMBL4408045 0.99 HRH3 (0.44) HRH3PIK3CACHRNB4CHRNA3ADRA2A
SCHEMBL13595234 0.90 HRH3 (0.40) HRH3CHRNB4CHRNA3ADRA2AADRA2B
Hydrochloric Acid SCHEMBL4407120 0.89 HRH3 (0.39) HRH3CHRNB4CHRNA3ADRA2AADRA2B
SCHEMBL13595219 0.83 TAAR1 (0.42) TAAR1HTR2CHTR2BKMT2A
Hydrochloric Acid SCHEMBL4410185 0.82 TAAR1 (0.41) TAAR1HTR2CHTR2BKMT2A
SCHEMBL4409390 0.81 HTR2C (0.37) TAAR1HTR2CHTR2B
SCHEMBL4415289 0.81 HTR2C (0.45) ADRA2AADRA2BADRA2CHTR1AHTR2C
Hydrochloric Acid SCHEMBL4409988 0.80 HTR2C (0.44) ADRA2AADRA2BADRA2CHTR1AHTR2C
Hydrochloric Acid SCHEMBL4418546 0.80 HTR2A (0.36) TAAR1HTR2CHTR2B
SCHEMBL13595224 0.78 HTR2C (0.47) HTR2CHTR2BKDM4EMEN1GAA

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-20090318412-A1 Tricyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318412-A1 Tricyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 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-20090318412-A1 Tricyclic heterocyclic compound and use thereof HTR2C, HTR2A, HTR5A HRH3 661/4885PIK3CA 2213/4885CHRNB4 429/4885

“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.