SCHEMBL4577333

SCHEMBL4577333

O=C(CCl)Nc1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ HTT P42858 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ TRPV1 Q8NER1 2/20 0.54
▸ CYP3A4 P08684 3/20 0.53
▸ CYP19A1 P11511 3/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ MAPT P10636 4/20 0.52
▸ RAB9A P51151 2/20 0.51
▸ MITF O75030 1/20 0.51
▸ POLB P06746 3/20 0.49
▸ GRIN2D O15399 1/20 0.49
▸ GRIN3B O60391 1/20 0.49
▸ GRIN1 Q05586 1/20 0.49
▸ GRIN2A Q12879 1/20 0.49
▸ GRIN2B Q13224 1/20 0.49
▸ GRIN2C Q14957 1/20 0.49
▸ GRIN3A Q8TCU5 1/20 0.49
▸ KIF11 P52732 1/20 0.49
▸ KMT2A Q03164 2/20 0.48

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
SCHEMBL4576855 0.90 ALDH1A1 (0.62) ALDH1A1HTTSMN1; SMN2TRPV1CYP2C9
SCHEMBL14073718 0.83 TRPV1 (0.53) ALDH1A1TRPV1CYP3A4CYP19A1CYP2C9
SCHEMBL14073688 0.82 PARP1 (0.54) ALDH1A1TRPV1CYP3A4CYP19A1CYP2C9
SCHEMBL4578101 0.81 TRPV1 (0.56) ALDH1A1TRPV1CYP3A4CYP19A1CYP2C9
SCHEMBL14073896 0.81 POLB (0.59) ALDH1A1TRPV1CYP3A4CYP19A1CYP2C9
SCHEMBL14073740 0.80 NSD2 (0.56) ALDH1A1HTTSMN1; SMN2TRPV1MAPT
SCHEMBL14073742 0.79 RAB9A (0.64) ALDH1A1SMN1; SMN2TRPV1CYP3A4CYP19A1
SCHEMBL14073733 0.79 MAPT (0.56) ALDH1A1HTTSMN1; SMN2TRPV1CYP3A4
SCHEMBL29451950 0.79 RAB9A (0.69) ALDH1A1HTTSMN1; SMN2CYP3A4CYP19A1
SCHEMBL14073861 0.78 CYP3A4 (0.48) ALDH1A1TRPV1CYP3A4CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435744-B2 Piperidine derivatives as NMDA receptor antagonists GEDEON RICHTER VEGYESZETI GYAR RT (HU) 2008-10-14 — — US disclosed
CN-100413860-C piperidine derivatives as NMDA receptor antagonists HUNGARY GIREL GYOGYSZERGYAR (HU) 2008-08-27 — — CN disclosed
CN-1556805-A piperidine derivatives as NMDA receptor antagonists ������ҩ�����޹�˾ 2004-12-22 — — CN disclosed
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists UCB Biopharma SRL (BE) 2004-08-12 — — US disclosed
EP-1409477-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2004-04-21 — — EP disclosed
WO-2003010159-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-02-06 — — WO 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-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists GRIN1, GRIN2D, GRIN2C ALDH1A1 1856/4885HTT 1285/4885SMN1; SMN2 2793/4885

“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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