SCHEMBL3051745

SCHEMBL3051745

COc1cc2c(cc1OC)CN(Cc1ccccc1)C2

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 1/20 0.64
SIGMAR1 Q99720 3/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
DRD4 P21917 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR2C P28335 1/20 0.59
SLC6A4 P31645 1/20 0.59
OPRK1 P41145 1/20 0.59
HTR2B P41595 1/20 0.59
HTR5A P47898 1/20 0.59
SLC6A3 Q01959 1/20 0.59
TMEM97 Q5BJF2 1/20 0.59
KMT2A Q03164 1/20 0.58
BCHE P06276 2/20 0.58
ABCB1 P08183 5/20 0.56
ABCC1 P33527 2/20 0.56
ABCG2 Q9UNQ0 2/20 0.56

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
SCHEMBL8793776 0.91 REV1 (0.70) REV1SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL25825939 0.91 REV1 (0.55) REV1SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL10383284 0.85 ABCB1 (0.74) REV1SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL10383113 0.83 EBP (0.58) SIGMAR1TMEM97ABCB1ABCG2CHRNA7
SCHEMBL30073105 0.83 SIGMAR1 (0.60) SIGMAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL3050371 0.82 REV1 (0.84) REV1KMT2AABCB1ABCC1ABCG2
SCHEMBL3693352 0.82 SIGMAR1 (0.75) REV1SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL10383389 0.81 SIGMAR1 (0.63) SIGMAR1TMEM97ABCB1KDM4EMAPT
SCHEMBL5449836 0.81 HTR1A (0.54) REV1SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL18356020 0.81 SIGMAR1 (0.51) REV1SIGMAR1HTR1AADRA2AADRA2B

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-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US disclosed
EP-2155192-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS Sterix Limited (GB) 2010-02-24 EP disclosed
WO-2008117061-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LIMITED (GB) 2008-10-02 WO disclosed
US-5318963-A Heterocyclic hydrazide derivatives of monocyclic β-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1994-06-07 US disclosed
EP-0227986-B1 ISOINDOLINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-03-24 EP disclosed
US-4987235-A Isoindoline derivatives and processes for their preparation BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
US-4958029-A Process for the production of isoindoline derivatives, novel intermediates and process for their production BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
EP-0275064-A2 Process for the production of isoindoline derivatives, novel intermediates and process for their production Banyu Pharmaceutical Co., Ltd. (JP) 1988-07-20 EP disclosed
EP-0227986-A1 Isoindoline derivatives and processes for their preparation BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-07-08 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 (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-20100222299-A1 COMPOUND MKI67, VHL, MYC REV1 1520/4885SIGMAR1 4163/4885HTR1A 1761/4885

“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.