SCHEMBL31197367

SCHEMBL31197367

c1ccc2c(NCCCCCCCCNc3ccnc4ccccc34)ccnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 1.00
ADRA1D P25100 4/20 1.00
ADRA1A P35348 4/20 1.00
ADRA1B P35368 4/20 1.00
FERMT2 Q96AC1 1/20 0.73
HRH3 Q9Y5N1 4/20 0.70
ACHE P22303 3/20 0.62

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
SCHEMBL22390094 1.00 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL18290254 1.00 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL15929304 1.00 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL8907601 0.92 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL15923360 0.92 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL8908732 0.92 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL20962990 0.92 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL21779535 0.92 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL8908387 0.92 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL10527664 0.92 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BFERMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034139-A1 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY PHARMA CINQ, LLC 2025-01-30 US claimed
US-20250034139-A1 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY PHARMA CINQ, LLC 2025-01-30 US disclosed
US-12139483-B2 Imidazoquinolyl compounds having anti-inflammatory, antifungal, antiparasitic, and anticancer activity PHARMA CINQ, LLC (US) 2024-11-12 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 (2 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-20250034139-A1 AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY AADAC, CASP1, AAAS HTR1A 977/4885ADRA1D 1703/4885ADRA1A 1394/4885
US-12139483-B2 Imidazoquinolyl compounds having anti-inflammatory, antifungal, antiparasitic, and anticancer activity NOD1, NLRP3, AADAC HTR1A 3470/4885ADRA1D 3118/4885ADRA1A 2888/4885

“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.