SCHEMBL4591174

SCHEMBL4591174

CS(=O)(=O)O.Nc1ccc(N)cc1

nearest known ligand 0.62

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 1/20 0.47
TSHR P16473 4/20 0.62
ALDH1A1 P00352 3/20 0.62
NT5E P21589 1/20 0.62
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
CYP3A4 P08684 2/20 0.52
LMNA P02545 1/20 0.52
MPO P05164 1/20 0.52
CYP2C9 P11712 1/20 0.52
HTR6 P50406 1/20 0.52
TDP1 Q9NUW8 2/20 0.52
DHFR P00374 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA12 O43570 3/20 0.50

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
SCHEMBL29225799 0.89 ACHE (0.65) TSHRALDH1A1NT5ECA1CA2
Sulfuric Acid SCHEMBL28230651 0.88 TSHR (0.62) TSHRALDH1A1NT5ECA1CA2
4-Chloroaniline SCHEMBL251281 0.87 MEN1 (0.61) TSHRALDH1A1NT5ECA1CA2
Sulfuric Acid SCHEMBL28572498 0.87 TSHR (0.68) TSHRALDH1A1NT5ECA1CA2
Sulfuric Acid SCHEMBL28270834 0.87 TSHR (0.68) TSHRALDH1A1NT5ECA1CA2
Sulfuric Acid SCHEMBL147074 0.87 TSHR (0.68) TSHRALDH1A1NT5ECA1CA2
Aniline SCHEMBL3783271 0.86 TSHR (0.58) TSHRALDH1A1NT5ECA1CA2
Sulfuric Acid SCHEMBL1599590 0.84 TSHR (0.65) TSHRALDH1A1NT5ECA1CA2
Sulfuric Acid SCHEMBL28964013 0.84 TSHR (0.65) TSHRALDH1A1NT5ECA1CA2
Sulfuric Acid SCHEMBL27651454 0.84 TSHR (0.65) TSHRALDH1A1NT5ECA1CA2

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 7 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
EP-1409477-B1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2008-09-17 EP 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 F2 4338/4885TSHR 865/4885ALDH1A1 1856/4885

“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.