SCHEMBL3752313

SCHEMBL3752313

c1ccc(CN(CCCCN2CCC(n3cnc4ccccc43)CC2)Cc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.61
SLC6A4 P31645 1/20 0.61
KMT2A Q03164 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
P2RX7 Q99572 1/20 0.43
AKT1 P31749 2/20 0.43
TACR2 P21452 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
CCR5 P51681 1/20 0.41
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
CTSS P25774 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39

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
SCHEMBL3746308 0.97 DRD2 (0.62) DRD2SLC6A4KMT2AOPRM1OPRL1
SCHEMBL3754922 0.92 DRD2 (0.65) DRD2SLC6A4KMT2AOPRM1OPRL1
SCHEMBL3132276 0.79 DRD2 (0.67) DRD2SLC6A4KMT2AOPRM1OPRL1
SCHEMBL5858616 0.77 DRD2 (0.69) DRD2SLC6A4KMT2AOPRM1OPRL1
SCHEMBL12658397 0.76 USP2 (0.48) DRD2SLC6A4KMT2AOPRM1OPRL1
SCHEMBL1838649 0.76 DRD2 (0.41) DRD2SLC6A4KMT2AOPRM1OPRL1
SCHEMBL6939666 0.75 SIGMAR1 (0.47) DRD2KMT2A
SCHEMBL5858744 0.74 DRD2 (0.68) DRD2SLC6A4KMT2AOPRM1OPRL1
SCHEMBL6947012 0.74 SIGMAR1 (0.49) DRD2KMT2A
SCHEMBL904830 0.73 DRD2 (0.60) DRD2SLC6A4KMT2AOPRM1OPRL1

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-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 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-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans ABCB11, TPP1, ABCB1 DRD2 3571/4885SLC6A4 4088/4885KMT2A 4004/4885

“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.