SCHEMBL7202212

SCHEMBL7202212

CC(=O)NCC1COc2ccccc2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 1.00
NPC1 O15118 4/20 0.70
RAB9A P51151 4/20 0.70
HPGD P15428 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
ALDH1A1 P00352 5/20 0.65
MEN1 O00255 1/20 0.65
LMNA P02545 1/20 0.65
KMT2A Q03164 1/20 0.65
AIMP2 Q13155 3/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP3A4 P08684 1/20 0.64
TSHR P16473 3/20 0.64
MAPK1 P28482 1/20 0.63
GLA P06280 1/20 0.61
ALOX12 P18054 1/20 0.61
POLB P06746 1/20 0.60

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 SCHEMBL11028253 0.98 MTNR1A (0.97) MTNR1ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL1567604 0.86 MTNR1A (0.76) MTNR1ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL22393113 0.86 HPGD (0.76) MTNR1ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL7201020 0.85 MTNR1A (0.74) MTNR1ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL19652069 0.84 MTNR1A (0.72) MTNR1ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL19002809 0.83 MTNR1A (0.71) MTNR1ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL7204558 0.83 MTNR1A (0.71) MTNR1ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL21348630 0.82 MTNR1A (0.70) MTNR1ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL21416050 0.82 MTNR1A (0.70) MTNR1ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10370721 0.81 MTNR1A (0.67) MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 WO disclosed
US-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 US disclosed
EP-0998471-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 2000-05-10 EP disclosed
WO-1998052935-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1998-11-26 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 (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-20020052400-A1 Substituted heterocyclic compounds MTNR1A, MTNR1B, CBR1 MTNR1A 1/4885NPC1 1687/4885RAB9A 2100/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 MTNR1A 710/4885NPC1 1229/4885RAB9A 1828/4885

“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.