SCHEMBL2637754

SCHEMBL2637754

[CH2]C(=O)N1CCC(Nc2ccccc2C(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.43
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.41
RBP4 P02753 7/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NSD2 O96028 1/20 0.40
ALDH1A1 P00352 1/20 0.38
NOS2 P35228 1/20 0.38

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
SCHEMBL2637654 0.84 RBP4 (0.45) SCDKMT2ALMNARBP4MEN1
SCHEMBL2637656 0.83 SCD (0.48) SCDKMT2ALMNARBP4KDM4E
SCHEMBL70179 0.83 ALDH1A1 (0.58) KDM4EALDH1A1
SCHEMBL2637119 0.79 KMT2A (0.63) KMT2AMEN1TDP1ALDH1A1
SCHEMBL2637134 0.79 SIGMAR1 (0.46) KMT2ALMNANSD2NOS2
SCHEMBL26422848 0.79 LMNA (0.50) SCDKMT2ALMNAKDM4ETDP1
SCHEMBL8514285 0.76 LMNA (0.59) SCDKMT2ALMNAMEN1KDM4E
SCHEMBL70952 0.75 RBP4 (0.44) SCDKMT2ARBP4MEN1
SCHEMBL7398227 0.74 ALDH1A1 (0.57) KDM4EALDH1A1
SCHEMBL5184222 0.74 SCD (0.53) SCDKMT2ALMNARBP4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US claimed
US-10973810-B2 Methods for the treatment of neurological disorders YUMANITY THERAPEUTICS, INC. (US) 2021-04-13 US disclosed
EP-3566055-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Yumanity Therapeutics, Inc. (US) 2019-11-13 EP disclosed
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2018-07-12 US disclosed
WO-2018129403-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS (US) 2018-07-12 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-10973810-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC SCD 1194/4885KMT2A 2541/4885LMNA 1231/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC SCD 1194/4885KMT2A 2541/4885LMNA 1231/4885

“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.