SCHEMBL21047735

SCHEMBL21047735

O=C1CCC(N(c2c3ccccc3cc3ccccc23)c2c3ccccc3cc3ccccc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.38
HTR7 P34969 3/20 0.38
CYP1A2 P05177 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
CES1 P23141 1/20 0.33
SLC6A4 P31645 1/20 0.32

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
SCHEMBL29586908 0.80 HTR1A (0.36) HTR1AHTR7CYP1A2KDM4EALDH1A1
SCHEMBL21047595 0.78 HTR1A (0.35) HTR1AHTR7CYP1A2KDM4EALDH1A1
SCHEMBL21047584 0.78 HTR1A (0.35) HTR1AHTR7CYP1A2KDM4EALDH1A1
SCHEMBL21047683 0.78 HTR1A (0.35) HTR1AHTR7CYP1A2KDM4EALDH1A1
SCHEMBL29587147 0.77 DPP8 (0.42) HTR1AHTR7KDM4EALDH1A1MEN1
SCHEMBL21047600 0.77 DPP8 (0.42) HTR1AHTR7KDM4EALDH1A1MEN1
SCHEMBL29586328 0.72 DDB1 (0.43) ALDH1A1
SCHEMBL21047747 0.72 DDB1 (0.43) ALDH1A1
SCHEMBL21047840 0.71 SLC6A2 (0.39) ALDH1A1MEN1KMT2ASLC6A4
SCHEMBL21047656 0.70 KDM4E (0.38) CYP1A2KDM4EALDH1A1MEN1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495341-B1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL KANTO DENKA KOGYO KK (JP) 2022-11-02 EP disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 US 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-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS HTR1A 3324/4885HTR7 2296/4885CYP1A2 212/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS HTR1A 3324/4885HTR7 2296/4885CYP1A2 212/4885

“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.