SCHEMBL25062055

SCHEMBL25062055

Clc1ccc(N2CCN(I)CC2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
POLB P06746 2/20 0.47
DRD2 P14416 4/20 0.46
DRD4 P21917 4/20 0.46
NOTUM Q6P988 1/20 0.45
GRM5 P41594 2/20 0.45
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
BCL2A1 Q16548 1/20 0.44
SLC6A3 Q01959 1/20 0.43
MAPT P10636 1/20 0.43
RAD52 P43351 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
SCHEMBL6309417 0.81 ALDH1A1 (0.63) AKR1C3POLBNOTUMKDM4EALDH1A1
SCHEMBL14922275 0.80 POLB (0.71) AKR1C3POLBDRD2DRD4SLC6A2
SCHEMBL22653981 0.78 AKR1C3 (0.49) AKR1C3POLBDRD2DRD4NOTUM
SCHEMBL8644731 0.76 AKR1C3 (0.47) AKR1C3POLBDRD2DRD4NOTUM
SCHEMBL232523 0.76 HTR3A (0.60) AKR1C3DRD2SLC6A4HTT
SCHEMBL29831886 0.76 HTR3A (0.60) AKR1C3DRD2SLC6A4HTT
SCHEMBL2090869 0.76 AKR1C3 (0.47) AKR1C3POLBDRD2DRD4NOTUM
Hydrochloric Acid SCHEMBL1904530 0.74 HTR3A (0.61) DRD2SLC6A4HTT
Hydrochloric Acid SCHEMBL31322444 0.74 HTR3A (0.61) DRD2SLC6A4HTT
Hydrochloric Acid SCHEMBL4480506 0.74 HTR3A (0.61) DRD2SLC6A4HTT

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-11731953-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-08-22 US disclosed
US-20230056253-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-23 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 (2 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-20230056253-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS AKR1C3 3232/4885POLB 71/4885DRD2 4606/4885
US-11731953-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS AKR1C3 3232/4885POLB 71/4885DRD2 4606/4885

“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.