SCHEMBL22928263

SCHEMBL22928263

Clc1ccccc1[C@@H]1CCNC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.52
HTR2C P28335 2/20 0.47
TP53 P04637 1/20 0.46
RECQL P46063 1/20 0.46
HTR1A P08908 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL3651436 1.00 HTR3A (0.52) HTR3AHTR2CTP53RECQLHTR1A
SCHEMBL29580849 1.00 HTR3A (0.52) HTR3AHTR2CTP53RECQLHTR1A
Hydrochloric Acid SCHEMBL4572974 0.98 HTR3A (0.50) HTR3AHTR2CTP53RECQLHTR1A
Oxalic Acid SCHEMBL3546962 0.90 JAK3 (0.47) HTR3ATP53RECQLSLC6A2SLC6A4
SCHEMBL3697519 0.89 HTR2A (0.51) HTR3AHTR2CTP53RECQLSLC6A2
SCHEMBL3962252 0.88 HTR2C (0.60) HTR2CTP53RECQLHTR1ASLC6A2
Hydrochloric Acid SCHEMBL2884606 0.87 HTR2A (0.50) HTR3AHTR2CTP53RECQLSLC6A2
Hydrochloric Acid SCHEMBL1765134 0.86 HTR2C (0.61) HTR2CTP53RECQLHTR1ASLC6A2
Hydrochloric Acid SCHEMBL30952434 0.86 HTR2C (0.61) HTR2CTP53RECQLHTR1ASLC6A2
SCHEMBL1822134 0.85 HTR3A (0.49) HTR3AHTR2CHTR1ASLC6A2SLC6A4

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-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF MEDICONNS SHANGHAI BIOPHARMACEUTICAL CO LTD (CN) 2021-01-28 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-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF PRLHR, DRD2, AVPR2 HTR3A 123/4885HTR2C 25/4885TP53 2875/4885

“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.