SCHEMBL4549115

SCHEMBL4549115

CCC(C)c1cc(C)cc(C(C)C)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
NOS2 P35228 4/20 0.34
NOS3 P29474 3/20 0.34
NOS1 P29475 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
USP2 O75604 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RORC P51449 1/20 0.33
AR P10275 1/20 0.33
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL11415140 0.94 TSHR (0.39) TSHRNOS2NOS3NOS1ALDH1A1
SCHEMBL2735032 0.85 NOS2 (0.43) TSHRNOS2NOS3NOS1ALDH1A1
SCHEMBL30692102 0.84 KDM4E (0.37) TSHRNOS2NOS3NOS1ALDH1A1
SCHEMBL19507086 0.82 GABRA1 (0.45) TSHRALDH1A1GAAUSP2PKM
SCHEMBL20180215 0.82 GABRA1 (0.45) TSHRALDH1A1GAAUSP2PKM
SCHEMBL15756301 0.79 USP2 (0.44) TSHRALDH1A1GAAUSP2PKM
Dimethylamine SCHEMBL10845320 0.79 NOS2 (0.39) TSHRNOS2NOS3NOS1ALDH1A1
SCHEMBL560581 0.77 TSHR (0.39) TSHRALDH1A1GAAUSP2PKM
SCHEMBL20706615 0.76 HTT (0.37) TSHRNOS2NOS3NOS1ALDH1A1
SCHEMBL4549116 0.76 CA1 (0.50) TSHRGAAHPGDRORCTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4233916-A1 COMPLEX, AND USE THEREOF RIKEN (JP) 2023-08-30 EP disclosed
US-20130217783-A1 Therapeutic Compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-08-22 US disclosed
US-8350097-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-01-08 US disclosed
US-20120196939-A1 Therapeutic Compounds SOWOOD HEALTHCARE LLC 2012-08-02 US disclosed
US-8173849-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2012-05-08 US disclosed
US-20100249246-A1 Therapeutic Compounds PHARMACOFORE, INC. (US) 2010-09-30 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-20130217783-A1 Therapeutic Compounds OPRM1, OGFR, UGT1A1 TSHR 1530/4885NOS2 2874/4885NOS3 3220/4885
US-20100249246-A1 Therapeutic Compounds OPRM1, OGFR, UGT1A1 TSHR 1530/4885NOS2 2874/4885NOS3 3220/4885
US-20120196939-A1 Therapeutic Compounds OPRM1, OPRD1, SCN1B TSHR 1877/4885NOS2 2475/4885NOS3 2669/4885

“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.