SCHEMBL21799477

SCHEMBL21799477

CC(C)(C)NCc1cccc(CN)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.44
ENPP2 Q13822 1/20 0.44
NOS1 P29475 4/20 0.43
NOS2 P35228 4/20 0.43
ALDH1A1 P00352 2/20 0.43
NOS3 P29474 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
LOXL2 Q9Y4K0 3/20 0.43
PRMT6 Q96LA8 1/20 0.41
PIM1 P11309 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
NCF1 P14598 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL14433569 0.90 PRMT6 (0.42) ALDH1A1CYP3A4NFKB1PRMT6CYP1A2
SCHEMBL7029428 0.85 ENPP2 (0.46) PNMTENPP2NOS1NOS2ALDH1A1
SCHEMBL21799817 0.84 NOS1 (0.40) PNMTENPP2NOS1NOS2ALDH1A1
SCHEMBL21799655 0.84 NOS1 (0.40) PNMTENPP2NOS1NOS2ALDH1A1
SCHEMBL8058539 0.84 TPSAB1 (0.45) LOXL2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL27112902 0.82 TP53 (0.39) ALDH1A1SMN1; SMN2PRMT6CYP1A2
SCHEMBL21799850 0.82 NOS1 (0.39) PNMTENPP2NOS1NOS2ALDH1A1
SCHEMBL21799749 0.81 NOS1 (0.38) PNMTENPP2NOS1NOS2ALDH1A1
SCHEMBL19301097 0.81 PRMT6 (0.37) ALDH1A1CYP3A4NFKB1PRMT6CYP1A2
SCHEMBL27113595 0.80 TPSAB1 (0.49) NOS2ALDH1A1SMN1; SMN2LOXL2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2024-02-29 US disclosed
CN-114805341-B Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2023-12-08 CN disclosed
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO disclosed
CN-114805341-A Aromatic heterocyclic compounds and preparation method and application thereof 上海翊石医药科技有限公司 2022-07-29 CN disclosed
US-11124593-B2 Modified block copolymer, method for producing modified block copolymer, and resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-21 US disclosed
US-20200199282-A1 Modified Block Copolymer, Method for Producing Modified Block Copolymer, and Resin Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-06-25 US disclosed
EP-3623398-A1 MODIFIED BLOCK COPOLYMER, METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER, AND RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-18 EP 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-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SLC7A1, ABCB11, SLC1A5 PNMT 1471/4885ENPP2 594/4885NOS1 2155/4885

“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.