SCHEMBL12577609

SCHEMBL12577609

CN1CCN(CCNC(=O)c2cccc(C3=C4C(=O)NC(c5ccc(Cl)cc5)=C4C(=O)N3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.51
▸ DRD2 P14416 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ PIM1 P11309 1/20 0.49
▸ PIM2 Q9P1W9 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ RAD52 P43351 1/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ BCL2L1 Q07817 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL12577606 0.93 POLB (0.53) DRD4DRD2CYP1A2CYP3A4CYP2D6
SCHEMBL12577618 0.92 HSD17B10 (0.51) DRD4MAPTPIM1POLBRAD52
SCHEMBL12577577 0.90 ALDH1A1 (0.57) DRD2EPHX2HTR1ACNR1BCL2L1
SCHEMBL12577600 0.88 RAD52 (0.48) DRD4PIM1PIM2RAD52PARP1
SCHEMBL12577602 0.88 MAPT (0.54) DRD4MAPTPIM1PIM2RAD52
SCHEMBL12577604 0.85 HDAC2 (0.58) DRD4DRD2CYP1A2CYP2D6RAD52
SCHEMBL12577562 0.82 SMN1; SMN2 (0.54) MAPTPIM1PIM2CNR1HDAC2
SCHEMBL12577576 0.80 HDAC2 (0.60) DRD4DRD2CYP1A2CYP2D6MAPT
SCHEMBL12640733 0.80 PDE1A (0.51) MAPTPOLBALDH1A1
SCHEMBL12577610 0.79 HDAC2 (0.56) CYP1A2CYP2D6POLBRAD52HDAC2

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-8273269-B2 Red colour filter composition BASF SE (DE) 2012-09-25 — — US disclosed
US-20110155973-A1 IMPROVED, RED COLOUR FILTER COMPOSITION BASF SE (DE) 2011-06-30 — — 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-20110155973-A1 IMPROVED, RED COLOUR FILTER COMPOSITION NR2E3, MRPS22, NR2C2 DRD4 132/4885DRD2 113/4885CYP1A2 252/4885

“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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