SCHEMBL25859350

SCHEMBL25859350

NCC1c2ccc(F)cc2OCC12CC2

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.40
HTR2C P28335 8/20 0.40
HTR2B P41595 6/20 0.40
SLC6A4 P31645 3/20 0.38
ADRA2A P08913 1/20 0.36
AKR1B1 P15121 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 1/20 0.32
ALK Q9UM73 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL25523284 0.85 HTR2B (0.39) HTR2AHTR2CHTR2BADRA2AAKR1B1
SCHEMBL25860608 0.81 AKR1B1 (0.42) AKR1B1ALKKDM4C
SCHEMBL25526152 0.73 ALK (0.33) ADRA2AAKR1B1ALKKDM4C
SCHEMBL25854637 0.73 CYP3A4 (0.35) ADRA2AAKR1B1ALK
SCHEMBL25854099 0.73 ALK (0.33) HTR2AHTR2CHTR2BSLC6A4ADRA2A
SCHEMBL31485644 0.72 ADRA2A (0.31) ADRA2A
SCHEMBL25526154 0.72 ADRA2A (0.31) ADRA2A
Hydrochloric Acid SCHEMBL31485620 0.71 HTR2A (0.31) HTR2AHTR2CHTR2BADRA2A
SCHEMBL29920682 0.69 CA2 (0.38) HTR2CHTR2BSLC6A2
SCHEMBL29920290 0.69 CA2 (0.38) HTR2CHTR2BSLC6A2

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-20230227437-A1 IMMUNOMODULATOR HITGEN INC (CN) 2023-07-20 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-20230227437-A1 IMMUNOMODULATOR IL17A, IL2, IL2RA HTR2A 3768/4885HTR2C 4060/4885HTR2B 4123/4885

“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.