SCHEMBL450215

SCHEMBL450215

Cc1ccc(F)cc1CC(C)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN(C)C)C3=O

nearest known ligand 0.89

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.89
ACVRL1 P37023 12/20 0.89
RET P07949 5/20 0.89
ROS1 P08922 5/20 0.89
MET P08581 2/20 0.89
NTRK3 Q16288 2/20 0.77
NTRK2 Q16620 2/20 0.77
IGF1R P08069 7/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
JAK1 P23458 1/20 0.33

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
SCHEMBL15996407 1.00 NTRK1 (0.89) NTRK1ACVRL1RETROS1MET
SCHEMBL438526 1.00 NTRK1 (0.89) NTRK1ACVRL1RETROS1MET
SCHEMBL15996586 0.97 NTRK1 (0.84) NTRK1ACVRL1RETROS1MET
SCHEMBL16437781 0.94 NTRK1 (1.00) NTRK1ACVRL1RETROS1MET
SCHEMBL438665 0.94 NTRK1 (1.00) NTRK1ACVRL1RETROS1MET
SCHEMBL14733171 0.93 NTRK1 (0.77) NTRK1ACVRL1RETROS1MET
SCHEMBL3458271 0.92 NTRK1 (0.86) NTRK1ACVRL1RETROS1MET
SCHEMBL14719264 0.92 NTRK1 (0.86) NTRK1ACVRL1RETROS1MET
SCHEMBL3459821 0.91 NTRK1 (0.74) NTRK1ACVRL1RETROS1MET
SCHEMBL14719587 0.91 NTRK1 (0.74) NTRK1ACVRL1RETROS1MET

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 288 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387587-A1 COMPOSITIONS Symrise AG (DE) 2024-06-26 EP claimed
WO-2024078679-A1 A FRAGRANCE MIXTURE (VI) SYMRISE AG (DE) 2024-04-18 WO claimed
WO-2024051922-A1 A FRAGRANCE MIXTURE (III) SYMRISE AG (DE) 2024-03-14 WO claimed
WO-2024027922-A1 A FRAGRANCE MIXTURE (II) SYMRISE AG (DE) 2024-02-08 WO claimed
WO-2023232243-A1 A FRAGRANCE MIXTURE (V) SYMRISE AG (DE) 2023-12-07 WO claimed
WO-2023232242-A1 FRAGRANCE MIXTURE SYMRISE AG (DE) 2023-12-07 WO claimed
WO-2023213386-A1 A FRAGRANCE MIXTURE (V) SYMRISE AG (DE) 2023-11-09 WO claimed
WO-2023147852-A1 COMPOSITIONS (III) SYMRISE AG (DE) 2023-08-10 WO claimed
WO-2023147874-A1 A FRAGRANCE MIXTURE SYMRISE AG (DE) 2023-08-10 WO claimed
WO-2023083445-A1 COMPOSITIONS COMPRISING TRPM8 AGONISTIC COOLING AGENTS SYMRISE AG (DE) 2023-05-19 WO claimed
WO-2023021012-A1 COMPOSITIONS SYMRISE AG (DE) 2023-02-23 WO claimed
US-11352587-B2 Fragrance mixtures SYMRISE AG (DE) 2022-06-07 US claimed
US-11116712-B2 Fragrance composition SYMRISE AG (DE) 2021-09-14 US claimed
EP-2262807-B1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORP (US) 2015-08-12 EP claimed
EP-1848702-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS Flexitral, Inc. (US) 2007-10-31 EP claimed
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions FLEXITRAL, INC. 2006-09-14 US claimed
WO-2006085048-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS FLEXITRAL, INC. (US) 2006-08-17 WO claimed
US-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives SYMRISE AG (DE) 2024-07-02 US disclosed
WO-1999016802-A1 COPOLYMERIC COMPOUNDS COMPRISING ONE OR MORE ACTIVE ALDEHYDE MONOMERIC UNIT THE PROCTER & GAMBLE COMPANY (US) 1999-04-08 WO disclosed
WO-1999016803-A1 CO-POLYMERIC COMPOUNDS COMPRISING ONE OR MORE ACTIVE ALDEHYDE MONOMERIC UNIT THE PROCTER & GAMBLE COMPANY (US) 1999-04-08 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 (4 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-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives FAAH2, ADH5, NISCH NTRK1 3296/4885ACVRL1 1917/4885RET 4275/4885
US-11352587-B2 Fragrance mixtures DHCR24, FAM120A, TRPA1 NTRK1 4014/4885ACVRL1 2603/4885RET 3527/4885
US-11116712-B2 Fragrance composition NISCH, CUTA, CYP1B1 NTRK1 3776/4885ACVRL1 4034/4885RET 4595/4885
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions TAS2R10, TAS2R9, OR10J3 NTRK1 3356/4885ACVRL1 2483/4885RET 911/4885

“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.