SCHEMBL4501798

SCHEMBL4501798

CCNC1CCCc2nc3ccccc3c(N)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
TSHR P16473 1/20 0.62
ALDH1A1 P00352 1/20 0.62
NR3C1 P04150 1/20 0.62
ACHE P22303 1/20 0.62
KCNH2 Q12809 1/20 0.62

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
SCHEMBL9378893 0.90 CYP1A2 (0.60) CYP1A2CYP2C9TSHRALDH1A1NR3C1
SCHEMBL9381492 0.88 CYP1A2 (0.57) CYP1A2CYP2C9TSHRALDH1A1NR3C1
SCHEMBL9377162 0.86 CYP1A2 (0.61) CYP1A2CYP2C9TSHRALDH1A1NR3C1
SCHEMBL9378899 0.84 CYP1A2 (0.58) CYP1A2CYP2C9TSHRALDH1A1NR3C1
SCHEMBL9382613 0.80 CYP1A2 (0.54) CYP1A2CYP2C9TSHRALDH1A1NR3C1
SCHEMBL9377996 0.80 CYP1A2 (0.63) CYP1A2CYP2C9TSHRALDH1A1NR3C1
SCHEMBL9378050 0.79 CYP1A2 (0.52) CYP1A2CYP2C9TSHRALDH1A1NR3C1
SCHEMBL9378601 0.79 CYP1A2 (0.57) CYP1A2ACHE
SCHEMBL3807927 0.78 CYP1A2 (0.72) CYP1A2CYP2C9TSHRALDH1A1NR3C1
Velnacrine SCHEMBL194467 0.77 CYP1A2 (1.00) CYP1A2CYP2C9TSHRALDH1A1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0368188-B1 1,2,3,4-Tetrahydro-1,9-acridinediamines, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1994-09-21 EP claimed
EP-0368188-A1 1,2,3,4-Tetrahydro-1,9-acridinediamines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1990-05-16 EP claimed
JP-3153667-A None JP disclosed
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 US disclosed
EP-1891954-A2 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2008-02-27 EP disclosed
US-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 US disclosed
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 US disclosed
EP-1640021-A1 PREVENTIVE/REMEDY FOR URINARY DISTURBANCE Takeda Pharmaceutical Company Limited (JP) 2006-03-29 EP disclosed
EP-1604653-A1 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP disclosed
US-20040116457-A1 Agents for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP disclosed
EP-0368188-B1 1,2,3,4-Tetrahydro-1,9-acridinediamines, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1994-09-21 EP disclosed
JP-H03153667-A 1,2,3,4-TETRAHYDRO-1,9-ACRIDINEDIAMINES HOECHST ROUSSEL PHARMACEUT INC 1991-07-01 JP disclosed
EP-0368188-A1 1,2,3,4-Tetrahydro-1,9-acridinediamines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1990-05-16 EP 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 (4 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-20070021391-A1 Preventive/remedy for urinary disturbance ACHE, BCHE, CHAT CYP1A2 725/4885CYP2C9 1396/4885TSHR 3362/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A CYP1A2 1169/4885CYP2C9 587/4885TSHR 4261/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE CYP1A2 1433/4885CYP2C9 710/4885TSHR 4603/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A CYP1A2 1276/4885CYP2C9 616/4885TSHR 4268/4885

“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.