SCHEMBL25875896

SCHEMBL25875896

O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc3ccccc3c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.66
SLC6A12 P48065 2/20 0.66
SLC6A13 Q9NSD5 1/20 0.66
MCHR1 Q99705 4/20 0.61
ACKR3 P25106 1/20 0.58
NAMPT P43490 1/20 0.57
TMEM97 Q5BJF2 2/20 0.55
SIGMAR1 Q99720 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL21845748 0.91 JAK2 (0.59) DRD4SLC6A12SLC6A13MCHR1ACKR3
SCHEMBL25875888 0.84 MAOA (0.53) ACKR3SIGMAR1CYP1A2MAPK1
SCHEMBL25875908 0.82 NPC1 (0.69) MAPK1
SCHEMBL25478350 0.76 DEGS1 (0.68) NAMPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25875892 0.76 CYP1A2 (0.64) CYP1A2CYP2D6CYP2C19
SCHEMBL61848 0.75 TMEM97 (0.83) DRD4SLC6A12SLC6A13MCHR1TMEM97
SCHEMBL694949 0.75 SIGMAR1 (0.82) DRD4SLC6A12SLC6A13MCHR1TMEM97
SCHEMBL22752022 0.75 JAK2 (0.69)
SCHEMBL22857550 0.75 JAK2 (0.69)
SCHEMBL25875911 0.75 CYP1A2 (0.56) NAMPTCYP1A2CYP2D6TSHRCYP2C19

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-20230227430-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-07-20 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-20230227430-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, CHUK, MAP3K2 DRD4 4821/4885SLC6A12 4850/4885SLC6A13 4774/4885

“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.