SCHEMBL2587466

SCHEMBL2587466

c1ccc(CNCCc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 12/20 1.00
MEN1 O00255 1/20 0.86
KMT2A Q03164 1/20 0.86
CA12 O43570 1/20 0.75
CA1 P00915 1/20 0.75
CA2 P00918 1/20 0.75
CA9 Q16790 1/20 0.75

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
Hydrochloric Acid SCHEMBL4456317 0.98 BCHE (0.97) BCHEMEN1KMT2ACA12CA1
SCHEMBL11476550 0.90 BCHE (1.00) BCHEMEN1KMT2ACA12CA1
SCHEMBL13686585 0.89 BCHE (0.79) BCHEMEN1KMT2ACA12CA1
SCHEMBL894215 0.88 BCHE (0.85) BCHEMEN1KMT2A
SCHEMBL7760590 0.88 BCHE (1.00) BCHEMEN1KMT2A
SCHEMBL11069984 0.88 BCHE (1.00) BCHEMEN1KMT2A
SCHEMBL13886610 0.85 BCHE (0.74) BCHEMEN1KMT2ACA12CA1
SCHEMBL3026043 0.85 BCHE (0.75) BCHEMEN1KMT2ACA12CA1
SCHEMBL9154589 0.84 LTA4H (0.79) BCHEMEN1KMT2ACA12CA1
SCHEMBL6322772 0.84 BCHE (0.72) BCHEMEN1KMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563757-B1 METHOD FOR PREPARING RITODRINE HYDROCHLORIDE LUNDBECK PHARMACEUTICALS ITALY S P A (IT) 2016-11-16 EP claimed
US-8912360-B2 Methods for preparing ritodrine hydrochloride LUNDBECK PHARMACEUTICALS ITALY S.P.A. (IT) 2014-12-16 US claimed
US-20130123539-A1 METHODS FOR PREPARING RITODRINE HYDROCHLORIDE LUNDBECK PHARMACEUTICALS ITALY S.P.A. (IT) 2013-05-16 US claimed
EP-2563757-A2 METHOD FOR PREPARING RITODRINE HYDROCHLORIDE Lundbeck Pharmaceuticals Italy S.p.A. (IT) 2013-03-06 EP claimed
WO-2011134724-A2 METHOD FOR PREPARING RITODRINE HYDROCHLORIDE LUNDBECK PHARMACEUTICALS ITALY S.P.A. (IT) 2011-11-03 WO claimed
EP-2563757-B1 METHOD FOR PREPARING RITODRINE HYDROCHLORIDE LUNDBECK PHARMACEUTICALS ITALY S P A (IT) 2016-11-16 EP disclosed
US-8912360-B2 Methods for preparing ritodrine hydrochloride LUNDBECK PHARMACEUTICALS ITALY S.P.A. (IT) 2014-12-16 US disclosed
US-20130123539-A1 METHODS FOR PREPARING RITODRINE HYDROCHLORIDE LUNDBECK PHARMACEUTICALS ITALY S.P.A. (IT) 2013-05-16 US disclosed
EP-2563757-A2 METHOD FOR PREPARING RITODRINE HYDROCHLORIDE Lundbeck Pharmaceuticals Italy S.p.A. (IT) 2013-03-06 EP disclosed
WO-2011134724-A2 METHOD FOR PREPARING RITODRINE HYDROCHLORIDE LUNDBECK PHARMACEUTICALS ITALY S.P.A. (IT) 2011-11-03 WO disclosed
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7339079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-04 US disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 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 (2 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-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF TPO, TSHR, THRB BCHE 332/4885MEN1 179/4885KMT2A 4034/4885
US-20130123539-A1 METHODS FOR PREPARING RITODRINE HYDROCHLORIDE COMT, ADRA2C, ADRA1D BCHE 68/4885MEN1 2598/4885KMT2A 1399/4885

“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.