SCHEMBL22144480

SCHEMBL22144480

CNc1cccc(C2=CCNCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 9/20 0.60
▸ SIGMAR1 Q99720 2/20 0.59
▸ QDPR P09417 3/20 0.50
▸ HTR6 P50406 2/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL30745981 0.87 HTR2C (0.54) HTR2CSIGMAR1QDPRHTR6NAMPT
SCHEMBL14684840 0.82 HTR2C (0.59) HTR2CSIGMAR1QDPRNAMPTHTR2A
SCHEMBL3986448 0.81 HTR2C (0.54) HTR2CSIGMAR1QDPRNAMPT
Hydrochloric Acid SCHEMBL5662417 0.80 HTR2C (0.55) HTR2CSIGMAR1QDPRNAMPT
SCHEMBL30431801 0.79 HTR2C (0.66) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL4790435 0.79 HTR2C (0.66) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL4767836 0.78 HTR2C (0.50) HTR2CSIGMAR1QDPRNAMPTCTSL
Hydrochloric Acid SCHEMBL9311920 0.78 HTR2C (0.67) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL4791120 0.77 SIGMAR1 (0.79) HTR2CSIGMAR1QDPRHTR6HTR7
Hydrochloric Acid SCHEMBL4793458 0.76 HTR2C (0.79) HTR2CSIGMAR1QDPRHTR6HTR7

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-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 — — US disclosed
WO-2020132561-A1 TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2020-06-25 — — WO 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-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE ERG28, CYP51A1, MANBA HTR2C 4135/4885SIGMAR1 2840/4885QDPR 1183/4885

“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.

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