SCHEMBL5800932

SCHEMBL5800932

O=C(O)C1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.81
RAB9A P51151 1/20 0.59
APAF1 O14727 1/20 0.57
NSD2 O96028 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
THRB P10828 1/20 0.57
CASP3 P42574 1/20 0.57
RECQL P46063 1/20 0.57
GALK1 P51570 1/20 0.57
KMT2A Q03164 1/20 0.57
HKDC1 Q2TB90 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
SAE1 Q9UBE0 1/20 0.57
UBA2 Q9UBT2 1/20 0.57
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL31381185 0.88 NOTUM (0.83) NOTUMRAB9AAPAF1NSD2POLB
SCHEMBL6507356 0.88 NOTUM (0.83) NOTUMRAB9AAPAF1NSD2POLB
SCHEMBL5800332 0.85 NOTUM (0.61) NOTUMRAB9AAPAF1NSD2POLB
SCHEMBL8124395 0.84 GAA (0.69) NOTUMRAB9APOLBMAPTCASP3
SCHEMBL2070458 0.83 NOTUM (0.83) NOTUMMAPTLMNAHTTAKR1C3
SCHEMBL2555675 0.83 NOTUM (0.58) NOTUMRAB9AAPAF1NSD2POLB
SCHEMBL3436316 0.83 TSHR (0.58) NOTUMMAPTLMNAKDM4ECYP2C19
SCHEMBL5798551 0.83 NOTUM (0.58) NOTUMRAB9AAPAF1NSD2POLB
SCHEMBL5800091 0.83 NOTUM (0.58) NOTUMRAB9AAPAF1NSD2POLB
SCHEMBL2559578 0.83 KMT2A (0.60) NOTUMRAB9AAPAF1NSD2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO claimed
EP-2048132-B1 Tetrahydro-naphthalene and urea derivatives XENTION LTD (GB) 2011-04-13 EP disclosed
US-7615557-B2 Tetrahydro-naphthalene and urea derivatives XENTION LIMITED (GB) 2009-11-10 US disclosed
US-7615557-B2 Tetrahydro-naphthalene and urea derivatives XENTION LIMITED (GB) 2009-11-10 US disclosed
EP-2048132-A1 Tetrahydro-naphthalene and urea derivatives Xention Limited (GB) 2009-04-15 EP disclosed
EP-1670761-B1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES XENTION LTD (GB) 2009-01-28 EP disclosed
US-20070167458-A1 Tetrahydro-naphthalene and urea derivatives BAYER HEALTHCARE AG (DE) 2007-07-19 US disclosed
US-20070167458-A1 Tetrahydro-naphthalene and urea derivatives BAYER HEALTHCARE AG (DE) 2007-07-19 US disclosed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 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 (2 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-20070167458-A1 Tetrahydro-naphthalene and urea derivatives NQO2, UGT1A4, CYP4B1 NOTUM 3934/4885RAB9A 444/4885APAF1 4388/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 NOTUM 3548/4885RAB9A 3793/4885APAF1 2181/4885

“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.