SCHEMBL834930

SCHEMBL834930

N[C@H]1CCc2[nH]c3ccccc3c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 1.00
HTR6 P50406 1/20 0.60
HTR1B P28222 4/20 0.59
HTR1D P28221 3/20 0.59
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SSTR3 P32745 1/20 0.49
KCNH2 Q12809 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
RB1 P06400 2/20 0.48
EGFR P00533 1/20 0.47
IGF1R P08069 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL700531 1.00 NR2E1 (1.00) NR2E1HTR6HTR1BHTR1DHTR2A
SCHEMBL833503 1.00 NR2E1 (1.00) NR2E1HTR6HTR1BHTR1DHTR2A
SCHEMBL29670383 1.00 NR2E1 (1.00) NR2E1HTR6HTR1BHTR1DHTR2A
Hydrochloric Acid SCHEMBL7412638 0.98 NR2E1 (0.97) NR2E1HTR6HTR1BHTR1DHTR2A
SCHEMBL29991655 0.88 NR2E1 (0.79) NR2E1HTR6HTR1BHTR1DHTR2A
SCHEMBL29992005 0.88 NR2E1 (0.79) NR2E1HTR6HTR1BHTR1DHTR2A
SCHEMBL6533665 0.88 NR2E1 (0.79) NR2E1HTR6HTR1BHTR1DHTR2A
SCHEMBL4905673 0.88 NR2E1 (0.79) NR2E1HTR6HTR1BHTR1DHTR2A
Hydrochloric Acid SCHEMBL11283863 0.87 NR2E1 (0.77) NR2E1HTR6HTR1BHTR1DHTR2A
SCHEMBL8702813 0.87 NR2E1 (0.75) NR2E1HTR6HTR1BHTR1DHTR2A

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-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 US disclosed
CN-113272305-A Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2021-08-17 CN disclosed
CN-104402798-B A kind of 3-amino-1, the method for splitting of 2,3,4-tetrahydro carbazoles 杭州瑞德化工有限公司 2016-09-14 CN disclosed
CN-104402798-A Resolution method for 3-amino-1, 2, 3, 4-tetrahydrocarbazole HANGZHOU READ CHEMICAL CO LTD 2015-03-11 CN disclosed
US-8143304-B2 (3-amino-1,2,3,4-tetrahydro-9 H-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2012-03-27 US disclosed
EP-2051962-B1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-26 EP disclosed
EP-2316824-A1 (3-Amino-1,2,3,4-tetrahydro-9H-carbazoI-9-yl)-acetic acid derivates Actelion Pharmaceuticals Ltd. (CH) 2011-05-04 EP disclosed
US-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-29 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-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 NR2E1 391/4885HTR6 39/4885HTR1B 76/4885
US-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives PTGDR, PTGER1, PTGIR NR2E1 723/4885HTR6 219/4885HTR1B 105/4885

“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.