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SCHEMBL4124295

SCHEMBL4124295

Cc1cc(F)ccc1-c1cnc(N2CCN(C)CC2)nc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 4/20 0.49
▸ ALDH1A1 P00352 6/20 0.43
▸ TSHR P16473 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 5/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ GLA P06280 1/20 0.41
▸ CYP1A2 P05177 4/20 0.40
▸ TP53 P04637 1/20 0.39
▸ USP2 O75604 3/20 0.39
▸ HIF1A Q16665 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ HTR3A P46098 2/20 0.39

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
Methylpiperazine SCHEMBL6866949 0.94 TACR1 (0.45) TACR1ALDH1A1TSHRMAPTMAPK1
SCHEMBL4130912 0.84 TACR1 (0.50) TACR1ALDH1A1TSHRMAPTMAPK1
SCHEMBL6869424 0.84 TACR1 (0.59) TACR1ALDH1A1TSHRMAPTMAPK1
Methylpiperazine SCHEMBL6016447 0.79 TACR1 (0.46) TACR1ALDH1A1TSHRMAPTMAPK1
SCHEMBL6866319 0.78 TNKS (0.46) ALDH1A1TSHRMAPTMAPK1KMT2A
SCHEMBL6868793 0.77 HRH4 (0.51) TACR1ALDH1A1TSHRMAPTMAPK1
SCHEMBL6872263 0.76 CYP1A2 (0.52) TACR1ALDH1A1TSHRMAPTMAPK1
SCHEMBL6016413 0.76 TACR1 (0.43) TACR1ALDH1A1TSHRMAPTMAPK1
SCHEMBL4125912 0.76 ALDH1A1 (0.52) TACR1ALDH1A1TSHRMAPTMAPK1
SCHEMBL21477245 0.75 ALDH1A1 (0.52) ALDH1A1TSHRMAPTMAPK1KMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2016-02-04 — — US claimed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 — — US claimed
US-20050107380-A1 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2005-05-19 — — US claimed
CN-1187338-C 5-phenyl-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2005-02-02 — — CN claimed
EP-1187814-B1 5-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-18 — — EP claimed
US-6756380-B1 NEUROKININ 1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. 2004-06-29 — — US claimed
CN-1353696-A 5-phenyl-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2002-06-12 — — CN claimed
EP-1187814-A2 5-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 — — EP claimed
WO-2000073278-A2 5-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 — — WO claimed
US-10201568-B2 Brain, spinal, and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2019-02-12 — — US disclosed
US-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2018-03-15 — — US disclosed
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2016-02-04 — — US disclosed
US-9186404-B2 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2015-11-17 — — US disclosed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 — — US disclosed
CN-1187338-C 5-phenyl-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2005-02-02 — — CN disclosed
EP-1187814-B1 5-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-18 — — EP disclosed
US-6756380-B1 NEUROKININ 1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. 2004-06-29 — — US disclosed
CN-1353696-A 5-phenyl-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2002-06-12 — — CN disclosed
EP-1187814-A2 5-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 — — EP disclosed
WO-2000073278-A2 5-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 — — 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 (5 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-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT TACR1, TACR2, NPSR1 TACR1 1/4885ALDH1A1 2796/4885TSHR 742/4885
US-20050107380-A1 Brain, spinal and nerve injury treatment TACR1, TACR2, NMUR1 TACR1 1/4885ALDH1A1 3192/4885TSHR 776/4885
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 TACR1 1/4885ALDH1A1 3192/4885TSHR 776/4885
US-10201568-B2 Brain, spinal, and nerve injury treatment TACR1, TACR2, NPSR1 TACR1 1/4885ALDH1A1 2796/4885TSHR 742/4885
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 TACR1 1/4885ALDH1A1 3192/4885TSHR 776/4885

“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.