SCHEMBL21637792

SCHEMBL21637792

CC1(C)CC(=O)c2cc(C(=O)NCCN)c(=O)[nH]c2C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 7/20 0.59
TP53 P04637 2/20 0.59
THRB P10828 2/20 0.59
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TERT O14746 2/20 0.36
MAOB P27338 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34

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
SCHEMBL370336 0.65 TDP1 (0.46) RXFP1TP53THRBALDH1A1MEN1
SCHEMBL7661207 0.65 RXFP1 (0.42) RXFP1TP53THRBALDH1A1MEN1
SCHEMBL7671814 0.65 RXFP1 (0.40) RXFP1TP53THRBALDH1A1HPGD
SCHEMBL13339921 0.64 EZH2 (0.42) TSHRMEN1KMT2ATERTMAOB
SCHEMBL8283565 0.63 RXFP1 (0.41) RXFP1TP53THRBALDH1A1MEN1
SCHEMBL17873430 0.63 RXFP1 (0.52) RXFP1TP53THRBALDH1A1TSHR
SCHEMBL4325559 0.59 CYP2C19 (0.45) RXFP1TP53THRBALDH1A1HPGD
SCHEMBL7665836 0.59 RXFP1 (0.45) RXFP1TP53THRBHPGDKMT2A
SCHEMBL3861140 0.58 TSHR (0.60) TSHRMEN1HPGDKMT2AMAOB
SCHEMBL4422412 0.57 ALDH1A1 (0.49) RXFP1TP53THRBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210187111-A1 COMPOSITIONS AND METHODS FOR DISRUPTING A MACROPHAGE NETWORK SCRIPPS HEALTH (US) 2021-06-24 US disclosed
WO-2020018434-A1 COMPOSITIONS AND METHODS FOR DISRUPTING A MACROPHAGE NETWORK SCRIPPS HEALTH (US) 2020-01-23 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 (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-20210187111-A1 COMPOSITIONS AND METHODS FOR DISRUPTING A MACROPHAGE NETWORK MSR1, CD68, CD209 RXFP1 2272/4885TP53 182/4885THRB 4508/4885

“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.