SCHEMBL22928541

SCHEMBL22928541

OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 19/20 1.00
DRD4 P21917 19/20 1.00
DRD2 P14416 17/20 0.88
MEN1 O00255 1/20 0.87
NPC1 O15118 1/20 0.87
LMNA P02545 1/20 0.87
CYP1A2 P05177 1/20 0.87
CYP3A4 P08684 1/20 0.87
HTR1A P08908 1/20 0.87
CHRM5 P08912 1/20 0.87
ADRA2A P08913 1/20 0.87
CYP2D6 P10635 1/20 0.87
CYP2C9 P11712 1/20 0.87
TSHR P16473 1/20 0.87
ADRA2B P18089 1/20 0.87
DRD1 P21728 1/20 0.87
SLC6A2 P23975 1/20 0.87
HTR2A P28223 1/20 0.87
HTR2C P28335 1/20 0.87
SLC6A4 P31645 1/20 0.87

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
SCHEMBL11253588 0.93 DRD3 (1.00) DRD3DRD4DRD2MEN1NPC1
SCHEMBL29390168 0.93 DRD3 (1.00) DRD3DRD4DRD2MEN1NPC1
SCHEMBL11270827 0.84 DRD3 (0.88) DRD3DRD4DRD2MEN1NPC1
SCHEMBL11255288 0.83 DRD3 (0.86) DRD3DRD4DRD2MEN1NPC1
SCHEMBL14281099 0.81 DRD4 (0.80) DRD3DRD4DRD2MEN1NPC1
SCHEMBL16887885 0.79 DRD4 (1.00) DRD3DRD4DRD2MEN1NPC1
SCHEMBL29087358 0.78 CCR3 (0.83) DRD3DRD4DRD2OPRM1KMT2A
SCHEMBL11261970 0.75 DRD3 (1.00) DRD3DRD4DRD2MEN1NPC1
SCHEMBL7943354 0.74 DRD3 (0.58) DRD3DRD4DRD2MEN1NPC1
SCHEMBL11254792 0.74 DRD3 (0.72) DRD3DRD4DRD2MEN1NPC1

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 DRD3 38/4885DRD4 4/4885DRD2 2/4885

“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.