SCHEMBL17640940

SCHEMBL17640940

CC(=O)N[C@@H](C)CC(C)C

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MLYCD O95822 1/20 0.42
MTNR1A P48039 6/20 0.41
MTNR1B P49286 6/20 0.41
ACACB O00763 9/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8150869 1.00 ALDH1A1 (0.58) ALDH1A1MLYCDMTNR1AMTNR1BACACB
SCHEMBL8365133 1.00 ALDH1A1 (0.58) ALDH1A1MLYCDMTNR1AMTNR1BACACB
SCHEMBL17057670 0.82 ALDH1A1 (0.45) ALDH1A1MTNR1AMTNR1BACACB
SCHEMBL16351261 0.81 ALDH1A1 (0.50) ALDH1A1MLYCDMEN1LMNAKMT2A
SCHEMBL24600205 0.80 ALDH1A1 (0.43) ALDH1A1MTNR1AMTNR1BACACB
SCHEMBL16260515 0.80 ALDH1A1 (0.43) ALDH1A1MTNR1AMTNR1BACACB
SCHEMBL16864727 0.80 ALDH1A1 (0.43) ALDH1A1MTNR1AMTNR1BACACB
SCHEMBL6728949 0.79 ALDH1A1 (0.46) ALDH1A1MLYCDMEN1LMNAKMT2A
SCHEMBL6728943 0.79 MLYCD (0.42) ALDH1A1MLYCDMEN1LMNAKMT2A
SCHEMBL11273630 0.79

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
US-20230322741-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2023-10-12 US disclosed
US-20230322741-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2023-10-12 US disclosed
WO-2023196432-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. (US) 2023-10-12 WO disclosed
US-20230139321-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2023-05-04 US disclosed
US-20230139321-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2023-05-04 US disclosed
US-11384064-B2 Chemokine receptor modulators and uses thereof RAPT THERAPEUTICS, INC. (US) 2022-07-12 US disclosed
US-11192879-B2 Chemokine receptor modulators and uses thereof RAPT THERAPEUTICS, INC. (US) 2021-12-07 US disclosed
US-20200339539-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. 2020-10-29 US disclosed
US-20200325117-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. 2020-10-15 US disclosed
WO-2020124397-A1 C-TERMINAL SRC KINASE INHIBITORS INVENTISBIO SHANGHAI LTD. (CN) 2020-06-25 WO disclosed
US-10683280-B2 Chemokine receptor modulators and uses thereof RAPT THERAPEUTICS, INC. (US) 2020-06-16 US disclosed
WO-2019147862-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2019-08-01 WO disclosed
US-20190233397-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2019-08-01 US disclosed
WO-2016046755-A1 METHYL-AND TRIFLUOROMETHYL-SUBSTITUTED PYRROLOPYRIDINE MODULATORS OF RORC2 AND METHODS OF USE THEREOF PFIZER INC. (US) 2016-03-31 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 (8 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-20230322741-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 ALDH1A1 2077/4885MLYCD 3711/4885MTNR1A 404/4885
US-20230139321-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 ALDH1A1 2077/4885MLYCD 3711/4885MTNR1A 404/4885
US-10683280-B2 Chemokine receptor modulators and uses thereof ACKR3, CCR5, CXCR3 ALDH1A1 2077/4885MLYCD 3711/4885MTNR1A 404/4885
US-20200325117-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 ALDH1A1 2077/4885MLYCD 3711/4885MTNR1A 404/4885
US-20200339539-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 ALDH1A1 2077/4885MLYCD 3711/4885MTNR1A 404/4885
US-11192879-B2 Chemokine receptor modulators and uses thereof ACKR3, CCR5, CXCR3 ALDH1A1 2077/4885MLYCD 3711/4885MTNR1A 404/4885
US-11384064-B2 Chemokine receptor modulators and uses thereof ACKR3, CCR5, CXCR3 ALDH1A1 2077/4885MLYCD 3711/4885MTNR1A 404/4885
US-20190233397-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 ALDH1A1 2077/4885MLYCD 3711/4885MTNR1A 404/4885

“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.