SCHEMBL7614558

SCHEMBL7614558

Clc1ccccc1CNCC1CCC(CNCc2ccccc2Cl)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 1.00
TP53 P04637 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
RECQL P46063 1/20 1.00
KMT2A Q03164 1/20 1.00
CXCR4 P61073 14/20 0.74
EBP Q15125 1/20 0.71
SIGMAR1 Q99720 1/20 0.71
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
CHRM2 P08172 1/20 0.55
P2RX7 Q99572 1/20 0.51

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
SCHEMBL7614548 1.00 MEN1 (1.00) MEN1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL29373593 1.00 MEN1 (1.00) MEN1TP53CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7920925 0.98 MEN1 (0.96) MEN1TP53CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL30545887 0.98 MEN1 (0.96) MEN1TP53CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7920921 0.98 MEN1 (0.96) MEN1TP53CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3675376 0.96 MEN1 (0.93) MEN1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL5322402 0.91 MEN1 (0.84) MEN1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL1966295 0.82 MEN1 (0.70) MEN1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL6072254 0.80 CHRM2 (0.72) MEN1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL25378299 0.78 MEN1 (0.64) MEN1TP53CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841909-B1 USE OF ALICYCLIC DIAMINES AS IMMUNOMODULATORS NEOVACS (FR) 2002-03-13 EP claimed
US-20240245703-A1 TOPICAL APPLICATION OF AGENTS TO REDUCE SUN SENSITIVITY AND IMPROVE TOPICAL PHOTODYNAMIC THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-07-25 US disclosed
WO-2023053097-A1 TOPICAL APPLICATION OF AGENTS TO REDUCE SUN SENSITIVITY AND IMPROVE TOPICAL PHOTODYNAMIC THERAPY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2023-04-06 WO disclosed
US-9427431-B2 Inhibitors of hedgehog signaling pathways, compositions and uses related thereto JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2016-08-30 US disclosed
EP-1067939-B1 USE OF STEROIDAL ALKALOID DERIVATIVES AS INHIBITORS OF HEDGEHOG PROTEIN SIGNALING PATHWAYS UNIV JOHNS HOPKINS (US) 2015-09-16 EP disclosed
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP disclosed
US-20120183603-A1 INHIBITORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO BEACHY PHILIP A (US) 2012-07-19 US disclosed
US-8097632-B2 Blocking hedgehog protein transduction signal passageway using alkaloid steroid JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2012-01-17 US disclosed
US-7998946-B2 Veratrum-type alkaloid inhibits mitotic cell proliferation in hedgehog-mediated signal transduction with an ED50 of 1 mM or less; preparations administered systemically, locally, topically; cancer; non-malignant hyperproliferative disorders JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2011-08-16 US disclosed
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
US-7291626-B1 Inhibitors of hedgehog signaling pathways, compositions and uses related thereto JOHN HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2007-11-06 US disclosed
US-20070179179-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-08-02 US disclosed
US-20070179179-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-08-02 US disclosed
US-7217738-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-15 US disclosed
US-7217738-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-15 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-7179794-B2 Multivalent macrolide antibiotics THERAVANCE, INC. (US) 2007-02-20 US disclosed
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 US disclosed
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 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 (3 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-20120183603-A1 INHIBITORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO SHH, GLI1, SMO MEN1 923/4885TP53 2285/4885CYP3A4 4782/4885
US-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 MEN1 3774/4885TP53 4086/4885CYP3A4 2099/4885
US-20070179179-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B MEN1 4705/4885TP53 4879/4885CYP3A4 1760/4885

“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.