SCHEMBL21881472

SCHEMBL21881472

O=C(OC1CCCC1)[C@@H](OC1CCCC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.49
LMNA P02545 4/20 0.49
BLM P54132 4/20 0.49
CHRM2 P08172 4/20 0.49
CHRM1 P11229 4/20 0.49
THRB P10828 3/20 0.49
PMP22 Q01453 3/20 0.49
CHRM4 P08173 3/20 0.49
CHRM5 P08912 3/20 0.49
CHRM3 P20309 3/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C9 P11712 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MTOR P42345 1/20 0.49
HTT P42858 1/20 0.48
CYP19A1 P11511 1/20 0.46
CYP3A4 P08684 3/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL21881191 1.00 CYP2D6 (0.49) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL21881383 0.98 CYP2D6 (0.48) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL7813041 0.97 CYP2D6 (0.49) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL23349257 0.86 SLC6A3 (0.51) LMNAMEN1KMT2AALDH1A1TDP1
SCHEMBL21881386 0.86 CYP19A1 (0.44) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL14068457 0.86 SLC6A3 (0.51) LMNAMEN1KMT2AALDH1A1TDP1
SCHEMBL21881480 0.85 TSHR (0.46) CYP2D6LMNACHRM2CHRM1MEN1
SCHEMBL21881471 0.85 TSHR (0.46) CYP2D6LMNACHRM2CHRM1MEN1
SCHEMBL21881840 0.85 TSHR (0.46) CYP2D6LMNACHRM2CHRM1MEN1
SCHEMBL23315550 0.84 CYP19A1 (0.47) CYP2D6CHRM1CYP1A2CYP2C9CYP19A1

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
US-20210206724-A1 ANGIOTENSIN II RECEPTOR 2 ANTAGONIST SALT FORM AND CRYSTALLINE FORM, AND PREPARATION METHOD THEREFOR SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2021-07-08 US disclosed
US-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-06-01 US disclosed
EP-3819293-A1 ANGIOTENSIN II RECEPTOR 2 ANTAGONIST SALT FORM AND CRYSTALLINE FORM, AND PREPARATION METHOD THEREFOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2021-05-12 EP disclosed
US-20200102275-A1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-04-02 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 (3 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-20200102275-A1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST AGTR2, AGTR1, HCAR2 CYP2D6 873/4885LMNA 4457/4885BLM 4846/4885
US-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist AGTR2, AGTR1, HCAR2 CYP2D6 873/4885LMNA 4457/4885BLM 4846/4885
US-20210206724-A1 ANGIOTENSIN II RECEPTOR 2 ANTAGONIST SALT FORM AND CRYSTALLINE FORM, AND PREPARATION METHOD THEREFOR AGTR2, AGTR1, AVPR2 CYP2D6 1187/4885LMNA 4112/4885BLM 3315/4885

“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.