SCHEMBL24634836

SCHEMBL24634836

C[C@@H](N)c1ccc(Cl)nn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
GAA P10253 6/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ADRB2 P07550 1/20 0.38
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
PNMT P11086 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
PDCD1LG2 Q9BQ51 3/20 0.33
CD274 Q9NZQ7 3/20 0.33

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
SCHEMBL31015464 1.00 ALDH1A1 (0.43) ALDH1A1GAALMNAKMT2AMAPT
SCHEMBL2600116 0.81 ALDH1A1 (0.46) ALDH1A1GAALMNAKMT2AMAPT
SCHEMBL31405028 0.79 ALDH1A1 (0.44) ALDH1A1GAALMNAKMT2AMAPT
SCHEMBL20233507 0.77 ALDH1A1 (0.43) ALDH1A1GAALMNAKMT2AMAPT
SCHEMBL31015530 0.77 LMNA (0.47) ALDH1A1GAALMNAKMT2AMAPT
SCHEMBL19962262 0.74 APLNR (0.35) ADRB2
SCHEMBL22714782 0.74 APLNR (0.35) ADRB2
SCHEMBL2713827 0.74 LMNA (0.49) ALDH1A1GAALMNAKMT2AMAPT
Hydrochloric Acid SCHEMBL20644224 0.73 APLNR (0.34)
Hydrochloric Acid SCHEMBL22714744 0.73 APLNR (0.34)

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-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF HANGZHOU WESTAN PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2023-11-09 US disclosed
US-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF HANGZHOU WESTAN PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2023-11-09 US disclosed
EP-4079725-A1 N-CARBOXAMIDOPYRAZOLINE DERIVATIVE SERVING AS P2X3 RECEPTOR ANTAGONIST AND APPLICATIONS Hangzhou Westan Pharmaceutical Technology Co., Ltd. (CN) 2022-10-26 EP 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-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF P2RX3, P2RX4, P2RX7 ALDH1A1 2422/4885GAA 4215/4885LMNA 3363/4885

“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.