SCHEMBL7258112

SCHEMBL7258112

OC1CCN(CCn2ncc3ccc(-c4ccsc4)cc32)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.47
▸ PIM2 Q9P1W9 1/20 0.47
▸ CYP3A4 P08684 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ HTR7 P34969 1/20 0.41
▸ HRH3 Q9Y5N1 3/20 0.39
▸ DRD2 P14416 6/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HTR1D P28221 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ DRD4 P21917 5/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ MET P08581 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34

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
SCHEMBL7253656 0.83 HTR7 (0.57) CYP3A4MCHR1HTR7DRD2DRD3
SCHEMBL7253427 0.83 HTR7 (0.55) CYP3A4MCHR1HTR7HTR1D
SCHEMBL7252935 0.82 HTR7 (0.54) CYP3A4MCHR1HTR7HTR1D
SCHEMBL7258361 0.79 KMO (0.53) PIM1PIM2CYP3A4KCNH2MCHR1
SCHEMBL7256498 0.78 EEF2K (0.46) PIM1KCNH2HTR7HTR1DBRD4
SCHEMBL7253624 0.77 BRD4 (0.42) PIM1HTR7DRD2HTR1DDRD4
SCHEMBL7256617 0.76 BRD4 (0.39) PIM1MCHR1HTR7DRD2HTR1D
SCHEMBL7256527 0.75 HTR1D (0.43) PIM1KCNH2HTR7HTR1DBRD4
SCHEMBL7256536 0.75 DRD2 (0.54) DRD2DRD4
SCHEMBL7253626 0.74 PIM1 (0.39) PIM1PIM2HTR7HRH3DRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635639-B2 Treatment or diagnosis of central nervous system conditions NPS ALLELIX CORP. (CA) 2003-10-21 — — US disclosed
US-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine NPS ALLEXLIX CORP. 2002-11-14 — — US disclosed
US-6380242-B1 FOR DIAGNOSIS AND THERAPY OF CENTRAL NERVOUS SYSTEM CONDITIONS NPS ALLELIX CORP. (CA) 2002-04-30 — — 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-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine CNR1, CNR2, KCNH1 PIM1 4713/4885PIM2 4690/4885CYP3A4 787/4885

“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.

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