SCHEMBL19149348

SCHEMBL19149348

CC(C)NCCCn1ccc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.64
CCND1 P24385 4/20 0.64
MAPK1 P28482 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.52
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL8160922 0.82 CDK4 (0.70) CDK4CCND1MAPK1CYP1A2CYP3A4
SCHEMBL13005298 0.79 CDK4 (0.70) CDK4CCND1MAPK1CYP1A2CYP3A4
SCHEMBL19148280 0.79 HTR2C (0.57) HTR2AHTR2CMTNR1AMTNR1BLMNA
SCHEMBL464099 0.76 CDK4 (0.78) CDK4CCND1MAPK1CYP1A2CYP3A4
SCHEMBL29374771 0.76 CDK4 (0.78) CDK4CCND1MAPK1CYP1A2CYP3A4
SCHEMBL19783670 0.76 CDK4 (0.66) CDK4CCND1MAPK1CYP1A2CYP3A4
SCHEMBL12605546 0.76 MAPK1 (0.83) CDK4CCND1MAPK1CYP1A2CYP3A4
SCHEMBL30444405 0.76 MCL1 (0.55) MAPK1CYP1A2CYP3A4CYP2C19MTNR1A
SCHEMBL11366447 0.75 CDK4 (1.00) CDK4CCND1MAPK1CYP1A2CYP3A4
SCHEMBL11959512 0.75 CDK4 (0.64) CDK4CCND1MAPK1CYP1A2CYP3A4

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
US-12599584-B2 Indoline derivatives, compositions comprising them and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2026-04-14 US disclosed
EP-3405454-B1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD (IL) 2021-12-29 EP disclosed
EP-3405454-B1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD (IL) 2021-12-29 EP disclosed
US-20210169850-A1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2021-06-10 US disclosed
US-20210169850-A1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2021-06-10 US disclosed
EP-3405454-A1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF Yissum Research Development Company of The Hebrew University of Jerusalem Ltd. (IL) 2018-11-28 EP disclosed
WO-2017125932-A1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2017-07-27 WO disclosed
WO-2017125932-A1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2017-07-27 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-20210169850-A1 INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF IDO1, IDO2, INMT CDK4 3774/4885CCND1 4267/4885MAPK1 1439/4885
US-12599584-B2 Indoline derivatives, compositions comprising them and uses thereof IL6, TNF, IDO1 CDK4 4827/4885CCND1 3533/4885MAPK1 1443/4885

“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.