SCHEMBL21902246

SCHEMBL21902246

CCCN(CCN)Cc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
RECQL P46063 1/20 0.51
TAAR1 Q96RJ0 2/20 0.50
PNMT P11086 2/20 0.49
PYCR1 P32322 1/20 0.48
AOC3 Q16853 1/20 0.47
RORC P51449 1/20 0.46
CARM1 Q86X55 1/20 0.45
PRMT1 Q99873 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BCHE P06276 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL21902245 0.91 TSHR (0.49) TSHRRECQLTAAR1PNMTPYCR1
SCHEMBL31500392 0.89 TSHR (0.53) TSHRRECQLTAAR1PNMTPYCR1
SCHEMBL11466186 0.89 TSHR (0.53) TSHRRECQLTAAR1PNMTPYCR1
SCHEMBL21902239 0.84 TSHR (0.51) TSHRRECQLTAAR1PNMTPYCR1
SCHEMBL26655849 0.84 TAAR1 (0.46) TSHRRECQLTAAR1PNMTPYCR1
SCHEMBL26655848 0.84 TSHR (0.48) TSHRRECQLTAAR1PNMTPYCR1
SCHEMBL11465237 0.80 HRH3 (0.58) TAAR1PYCR1AOC3RORCCYP1A2
SCHEMBL16144721 0.80 CARM1 (0.58) TSHRAOC3RORCCARM1HSD17B10
SCHEMBL26658419 0.79 TAAR1 (0.47) TSHRRECQLTAAR1PNMTPYCR1
SCHEMBL21902241 0.79 CARM1 (0.62) TSHRRECQLTAAR1PNMTPYCR1

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-20210347846-A1 NOVEL MEANS TO MODULATE NMDA RECEPTOR-MEDIATED TOXICITY FUNDAMENTAL PHARMA GMBH (DE) 2021-11-11 US disclosed
WO-2020079244-A1 NOVEL MEANS TO MODULATE NMDA RECEPTOR-MEDIATED TOXICITY FUNDAMENTAL PHARMA GMBH (DE) 2020-04-23 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-20210347846-A1 NOVEL MEANS TO MODULATE NMDA RECEPTOR-MEDIATED TOXICITY TRPM4, GRIK4, GRM4 TSHR 1493/4885RECQL 3884/4885TAAR1 1186/4885

“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.