SCHEMBL29327347

SCHEMBL29327347

Fc1ccc(N2CCNCC2C2CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.48
HTR2B P41595 8/20 0.48
HTR2A P28223 4/20 0.48
HRH3 Q9Y5N1 2/20 0.46
HTR6 P50406 1/20 0.42
CHRNB2 P17787 5/20 0.40
CHRNB4 P30926 5/20 0.40
CHRNA3 P32297 5/20 0.40
CHRNA4 P43681 5/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL4419084 0.83 SLC6A2 (0.54) HTR2CHTR2BHTR2AHRH3CHRNB2
SCHEMBL18452851 0.82 HTR2C (0.68) HTR2CHTR2BHTR2AHRH3CHRNB2
SCHEMBL18488412 0.82 HTR2C (0.68) HTR2CHTR2BHTR2AHRH3CHRNB2
SCHEMBL38662318 0.81 ADRB2 (0.47) HTR2CHTR2BHTR2AHRH3CHRNB2
SCHEMBL25389269 0.79 HTR2C (0.54) HTR2CHTR2BHTR2AHRH3HTR6
SCHEMBL25389466 0.79 HTR2C (0.54) HTR2CHTR2BHTR2AHRH3HTR6
SCHEMBL2155124 0.77 RAD52 (0.46) HTR2CHTR2BHTR2AHRH3HTR6
SCHEMBL17536150 0.77 SLC6A2 (0.48) HTR2CHTR2BHTR2AHTR6SLC6A2
SCHEMBL5633055 0.77 RAD52 (0.46) HTR2CHTR2BHTR2AHRH3HTR6
SCHEMBL5632812 0.77 RAD52 (0.46) HTR2CHTR2BHTR2AHRH3HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO., LTD. BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2024-07-18 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-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF AQP3, SLC6A7, ABCG2 HTR2C 491/4885HTR2B 1129/4885HTR2A 774/4885

“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.