SCHEMBL6351916

SCHEMBL6351916

Clc1cc(N2CCC3(CC2)OCCO3)nc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 2/20 0.36
LGMN Q99538 1/20 0.36
FLT3 P36888 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL9083987 0.92 MAPT (0.43) MAPTCYP1A2CYP2D6KMT2ASMN1; SMN2
SCHEMBL9083863 0.86 MAPT (0.44) MAPTCYP1A2CYP2D6KMT2ASMN1; SMN2
SCHEMBL17893639 0.84 HSD17B10 (0.43) MAPTCYP1A2CYP2D6KMT2ASMN1; SMN2
SCHEMBL9086580 0.79 TACR2 (0.44) MAPTKMT2ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL17893619 0.79 LGMN (0.44) MAPTCYP1A2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29762330 0.78 MAPT (0.70) MAPTCYP1A2CYP2D6KMT2ASMN1; SMN2
SCHEMBL856815 0.78 MAPT (0.70) MAPTCYP1A2CYP2D6KMT2ASMN1; SMN2
SCHEMBL6896295 0.78 ALDH1A1 (0.44) MAPTKMT2ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL8351765 0.77 TRPV1 (0.43) MAPTKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL1748520 0.76 CYP1A2 (0.47) MAPTCYP1A2CYP2D6KMT2ASMN1; SMN2

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-6936607-B2 2,4,6-Triaminopyrimidines for the treatment of depression and/or anxiety H. LUNOBECK A/S (DK) 2005-08-30 US disclosed
WO-2004034967-A2 2,4,6-TRIAMINOPYRIMIDINES FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-04-29 WO disclosed
US-20040082587-A1 2,4,6-Triaminopyrimidines for the treatment of depression and/or anxiety H. LUNDBECK A/S (DK) 2004-04-29 US disclosed
US-20040082587-A1 2,4,6-Triaminopyrimidines for the treatment of depression and/or anxiety H. LUNDBECK A/S (DK) 2004-04-29 US disclosed
US-20040082587-A1 2,4,6-Triaminopyrimidines for the treatment of depression and/or anxiety H. LUNDBECK A/S (DK) 2004-04-29 US disclosed
US-5550240-A Piperazinyl-bis(alkylamino)pyrimidine derivatives and process for preparing same RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1996-08-27 US disclosed
US-5547949-A INHIBITING PEROXIDATION OF LIPIDS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1996-08-20 US disclosed
EP-0646126-A1 NOVEL STEROIDS WITH PREGNANE SKELETON, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1995-04-05 EP disclosed
EP-0644882-A1 NOVEL PIPERZINYL-BIS(ALKYLAMINO)PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING SAME RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1995-03-29 EP disclosed
WO-1993025570-A1 NOVEL STEROIDS WITH PREGNANE SKELETON, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1993-12-23 WO disclosed
WO-1993025539-A1 NOVEL PIPERZINYL-BIS(ALKYLAMINO)PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1993-12-23 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-20040082587-A1 2,4,6-Triaminopyrimidines for the treatment of depression and/or anxiety GALR3, GALR2, GALR1 MAPT 2638/4885CYP1A2 1841/4885CYP2D6 691/4885

“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.