SCHEMBL6617262

SCHEMBL6617262

NCCCN1CCC(NC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.48
CYP2D6 P10635 1/20 0.48
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
CHRM1 P11229 1/20 0.43
PRMT3 O60678 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT1 Q99873 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
KCNA3 P22001 1/20 0.42
CHRM3 P20309 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL7978255 0.91 CARM1 (0.51) SIGMAR1CYP2D6SLC6A2SLC6A4CHRM1
SCHEMBL6622326 0.87 SIGMAR1 (0.39) SIGMAR1CYP2D6CHRM3
SCHEMBL1808554 0.82 DRD2 (0.54) SIGMAR1CYP2D6SLC6A2SLC6A4CHRM1
SCHEMBL7235979 0.78 SIGMAR1 (0.51) SIGMAR1CYP2D6CARM1PRMT6
SCHEMBL7978211 0.76 KDM1A (0.59)
SCHEMBL6620398 0.74 CHRM2 (0.61) CYP2D6SLC6A2SLC6A4CHRM1CHRM3
SCHEMBL6620370 0.74 SIGMAR1 (0.53) SIGMAR1CYP2D6SLC6A4
SCHEMBL11482798 0.72 SIGMAR1 (0.51) SIGMAR1SLC6A4
SCHEMBL15702621 0.72 BCHE (0.61) SIGMAR1SLC6A2SLC6A4CHRM1SLC6A3
SCHEMBL7867289 0.72 BACE1 (0.46) SIGMAR1CYP2D6CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254189-A1 Jnk inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-16 US disclosed
EP-0979231-B1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-11-24 EP disclosed
EP-1426050-A1 JNK INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2004-06-09 EP disclosed
EP-1123936-B1 FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-12-10 EP disclosed
US-6627630-B1 Preventing or treating allergic skin diseases such as contact dermatitis, pruritus, dried dermatitis, acute urticaria prurigo and antiallergins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
EP-1243271-A1 NASAL DROPS CONTAINING FUSED PYRIDAZINE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
EP-1123936-A1 FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed
US-6248740-B1 FOR SUPPRESSION OF HISTAMINE OR EOSINOPHIL CHEMOTAXIS TO TREAT ASTHMA; ANTIALLERGENIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-0979231-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998049167-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 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-20040254189-A1 Jnk inhibitors AR, MAPK1, MAPK3 SIGMAR1 566/4885CYP2D6 621/4885SLC6A2 3387/4885

“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.