SCHEMBL20116458

SCHEMBL20116458

COC(=O)C1CCN(C(=O)c2ccc(C(C)C)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
MAPT P10636 2/20 0.61
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MGLL Q99685 9/20 0.56
FAAH O00519 1/20 0.55
POLB P06746 3/20 0.53
GAA P10253 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL10724061 0.90 TSHR (0.78) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL3660045 0.86 TSHR (0.69) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL26814879 0.86 ALDH1A1 (0.55) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL20116334 0.84 MAPT (0.70) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL25442209 0.83 KMT2A (0.63) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2835506 0.82 TSHR (0.68) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3659481 0.82 TSHR (0.76) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL20116480 0.81 MAPT (0.59) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL20013935 0.81 ALDH1A1 (0.69) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL14923995 0.81 KMT2A (0.69) MAPTALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 TSHR 4679/4885MAPT 22/4885ALDH1A1 656/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 TSHR 4679/4885MAPT 22/4885ALDH1A1 656/4885

“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.